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4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzoic acid

4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzoic acid

Systemtic Name:4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzoic acid
Openeye Name:4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid
CAS Name:4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid
IUPAC Name:4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid
Traditional Name:4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)benzoic acid
Formula: C14H12N4O4
MolecularWeight: 300.26948
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C14H12N4O4/c1-17-11-9(12(19)18(2)14(17)22)15-10(16-11)7-3-5-8(6-4-7)13(20)21/h3-6H,1-2H3,(H,15,16)(H,20,21)


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