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

Systemtic Name: 4-[3-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)propanoylamino]benzoic acid Openeye Name: 4-[3-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)propanoylamino]benzoic acid CAS Name: 4-[[3-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)propanoylamino]benzoic acid Formula: C15H16N6O4 MolecularWeight: 344.32534

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCC(=O)NC3=CC=C(C=C3)C(=O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1CCC(=O)NC3=CC=C(C=C3)C(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C15H16N6O4/c16-15-19-12-11(13(23)20-15)17-7-21(12)6-5-10(22)18-9-3-1-8(2-4-9)14(24)25/h1-4,17H,5-7H2,(H,18,22)(H,24,25)(H3,16,19,20,23)