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

Systemtic Name: 4-[2-(6-oxidanylidene-3H-purin-9-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(6-oxo-3H-purin-9-yl)acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-(6-oxo-3H-purin-9-yl)ethyl]amino]benzoic acid IUPAC Name: 4-[[2-(6-oxo-3H-purin-9-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(6-keto-3H-purin-9-yl)acetyl]amino]benzoic acid Formula: C14H11N5O4 MolecularWeight: 313.26824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O4/c20-10(18-9-3-1-8(2-4-9)14(22)23)5-19-7-17-11-12(19)15-6-16-13(11)21/h1-4,6-7H,5H2,(H,18,20)(H,22,23)(H,15,16,21)