2-[1,3-dimethyl-8-[(3-methylphenyl)amino]-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: 2-[1,3-dimethyl-8-[(3-methylphenyl)amino]-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxo-7-purinyl]acetate IUPAC Name: 2-[1,3-dimethyl-8-(3-methylanilino)-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(m-toluidino)purin-7-yl]acetate Formula: C16H16N5O4- MolecularWeight: 342.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC3=C(N2CC(=O)[O-])C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC3=C(N2CC(=O)[O-])C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H17N5O4/c1-9-5-4-6-10(7-9)17-15-18-13-12(21(15)8-11(22)23)14(24)20(3)16(25)19(13)2/h4-7H,8H2,1-3H3,(H,17,18)(H,22,23)/p-1