649
  -OEChem-02040815592D

 14 14  0     0  0  0  0  0  0999 V2000
    5.4641   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
649

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
132

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQAAAACADBgAQBAALAAAAIAAEQEAAAAAAAAAAAAIEIAACAAAgAQAAEAAAIFyIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hexahydropyrimidine-2,4-dione

> <PUBCHEM_IUPAC_CAS_NAME>
hexahydropyrimidine-2,4-dione

> <PUBCHEM_IUPAC_NAME>
1,3-diazinane-2,4-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3-diazinane-2,4-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,6-dihydrouracil

> <PUBCHEM_NIST_INCHI>
InChI=1/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)/f/h5-6H

> <PUBCHEM_CACTVS_XLOGP>
-1.2

> <PUBCHEM_EXACT_MASS>
114.042927

> <PUBCHEM_MOLECULAR_FORMULA>
C4H6N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
114.10264

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNC(=O)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNC(=O)NC1=O

> <PUBCHEM_CACTVS_TPSA>
58.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
114.042927

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
5

> <PUBCHEM_SUBSTANCE_ID>
3718

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00429

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.3.1.1
Is a reactant or product of enzyme EC 1.3.1.2
Is a reactant or product of enzyme EC 1.3.3.7
Is a reactant or product of enzyme EC 3.5.2.2

> <PUBCHEM_SUBSTANCE_SYNONYM>
2,4(1H,3H)-Pyrimidinedione, dihydro-
5,6-Dihydro-2,4-dihydroxypyrimidine
5,6-Dihydrouracil
504-07-4
C00429
Dihydrouracil
Dihydrouracile
Hydrouracil

> <PUBCHEM_GENERIC_REGISTRY_NAME>
504-07-4

> <PUBCHEM_XREF_EXT_ID>
C00429

> <PUBCHEM_GENBANK_PROTEIN_ID>
13399647
13399648
13399649
13399650
13399651
13399652
13399653
13399654
20663633
20663634
20663635
20663636
20663641
20663642
20663643
20663644
20663675
20663676
20663677
20663678
21730171
21730172
21730173
21730174
21730175
21730176
21730177
21730178
21730179
21730180
22218649
22218650
22218651
22218652
34811413
34811414
34811415
34811416
61680756
61680757
93279740
93279741
93279742
93279743
93279744
93279774
93279775
93279776
93279777
93279778
93279779
93279780
93279781
109158020
109158021
109158022
109158023

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00429

> <PUBCHEM_CID_ASSOCIATIONS>
649  1

$$$$