2-(6-oxidanylidene-2-phenylazanyl-3H-purin-9-yl)ethanoic acid

Systemtic Name: 2-(6-oxidanylidene-2-phenylazanyl-3H-purin-9-yl)ethanoic acid Openeye Name: 2-(2-anilino-6-oxo-3H-purin-9-yl)acetic acid CAS Name: 2-(2-anilino-6-oxo-3H-purin-9-yl)acetic acid IUPAC Name: 2-(2-anilino-6-oxo-3H-purin-9-yl)acetic acid Traditional Name: 2-(2-anilino-6-keto-3H-purin-9-yl)acetic acid Formula: C13H11N5O3 MolecularWeight: 285.25814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CC(=O)O

InChI

InChI=1S/C13H11N5O3/c19-9(20)6-18-7-14-10-11(18)16-13(17-12(10)21)15-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,19,20)(H2,15,16,17,21)