methyl 2-[3-methyl-8-[(4-methylphenyl)amino]-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: methyl 2-[3-methyl-8-[(4-methylphenyl)amino]-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: methyl 2-[3-methyl-8-(4-methylanilino)-2,6-dioxo-purin-7-yl]acetate CAS Name: 2-[3-methyl-8-(4-methylanilino)-2,6-dioxo-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-methyl-8-(4-methylanilino)-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[2,6-diketo-3-methyl-8-(p-toluidino)purin-7-yl]acetic acid methyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=C(N2CC(=O)OC)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=C(N2CC(=O)OC)C(=O)NC(=O)N3C

InChI

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