2-(1-methyl-6-oxidanylidene-2-phenylazanyl-purin-7-yl)ethanoic acid

Systemtic Name: 2-(1-methyl-6-oxidanylidene-2-phenylazanyl-purin-7-yl)ethanoic acid Openeye Name: 2-(2-anilino-1-methyl-6-oxo-purin-7-yl)acetic acid CAS Name: 2-(2-anilino-1-methyl-6-oxo-7-purinyl)acetic acid IUPAC Name: 2-(2-anilino-1-methyl-6-oxopurin-7-yl)acetic acid Traditional Name: 2-(2-anilino-6-keto-1-methyl-purin-7-yl)acetic acid Formula: C14H13N5O3 MolecularWeight: 299.28472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=CN2CC(=O)O)N=C1NC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C2=C(N=CN2CC(=O)O)N=C1NC3=CC=CC=C3

InChI

InChI=1S/C14H13N5O3/c1-18-13(22)11-12(15-8-19(11)7-10(20)21)17-14(18)16-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,17)(H,20,21)