Chemical ID: 7232818

c12c([nH]c(=O)[nH]1)[n-]c(=O)[nH]c2=O
Chemical ID:
7232818
Name [?]:
7,9-dihydropurine-2,6,8-trione
SMILES [?]:
c12c([nH]c(=O)[nH]1)[n-]c(=O)[nH]c2=O
InChi [?]:
InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)/p-1
InChi Info:
AuxInfo=1/5/N:1,2,11,4,8,6,3,7,10,12,5,9/rA:12nCCNCONN-CONCO/rB:d1;s2;s3;d4;s1s4;s2;s7;d8;s8;s1s10;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H3N4O3-
All Atoms:15
Heavy Atoms:12
Chiral Atoms:None
ZAP Information [?]
Total:-23.9135
Area:300.081
Solvation:-31.4155
Coulombic:-44.647
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-2.16
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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