4-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]benzoic acid Openeye Name: 4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]benzoic acid CAS Name: 4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]benzoic acid IUPAC Name: 4-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]benzoic acid Traditional Name: 4-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]benzoic acid Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CC3=CC=C(C=C3)C(=O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1CC3=CC=C(C=C3)C(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C13H13N5O3/c14-13-16-10-9(11(19)17-13)15-6-18(10)5-7-1-3-8(4-2-7)12(20)21/h1-4,15H,5-6H2,(H,20,21)(H3,14,16,17,19)