2-(2-acetamido-6-oxidanylidene-3H-purin-7-yl)ethanoic acid

Systemtic Name: 2-(2-acetamido-6-oxidanylidene-3H-purin-7-yl)ethanoic acid Openeye Name: 2-(2-acetamido-6-oxo-3H-purin-7-yl)acetic acid CAS Name: 2-(2-acetamido-6-oxo-3H-purin-7-yl)acetic acid IUPAC Name: 2-(2-acetamido-6-oxo-3H-purin-7-yl)acetic acid Traditional Name: 2-(2-acetamido-6-keto-3H-purin-7-yl)acetic acid Formula: C9H9N5O4 MolecularWeight: 251.19886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2CC(=O)O

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N=CN2CC(=O)O

InChI

InChI=1S/C9H9N5O4/c1-4(15)11-9-12-7-6(8(18)13-9)14(3-10-7)2-5(16)17/h3H,2H2,1H3,(H,16,17)(H2,11,12,13,15,18)