3-methoxy-4-(6-oxidanylidene-3,7-dihydropurin-8-yl)benzoic acid

Systemtic Name: 3-methoxy-4-(6-oxidanylidene-3,7-dihydropurin-8-yl)benzoic acid Openeye Name: 3-methoxy-4-(6-oxo-3,7-dihydropurin-8-yl)benzoic acid CAS Name: 3-methoxy-4-(6-oxo-3,7-dihydropurin-8-yl)benzoic acid IUPAC Name: 3-methoxy-4-(6-oxo-3,7-dihydropurin-8-yl)benzoic acid Traditional Name: 4-(6-keto-3,7-dihydropurin-8-yl)-3-methoxy-benzoic acid Formula: C13H10N4O4 MolecularWeight: 286.2429

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)C2=NC3=C(N2)C(=O)N=CN3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)C2=NC3=C(N2)C(=O)N=CN3

InChI

InChI=1S/C13H10N4O4/c1-21-8-4-6(13(19)20)2-3-7(8)10-16-9-11(17-10)14-5-15-12(9)18/h2-5H,1H3,(H,19,20)(H2,14,15,16,17,18)