4-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(2-amino-6-oxo-3H-purin-9-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-amino-6-oxo-3H-purin-9-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(2-amino-6-keto-3H-purin-9-yl)acetyl]amino]benzoic acid Formula: C14H12N6O4 MolecularWeight: 328.28288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C14H12N6O4/c15-14-18-11-10(12(22)19-14)16-6-20(11)5-9(21)17-8-3-1-7(2-4-8)13(23)24/h1-4,6H,5H2,(H,17,21)(H,23,24)(H3,15,18,19,22)