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

Systemtic Name: methyl 2-[3-methyl-8-[(4-methylphenyl)methylamino]-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: methyl 2-[3-methyl-2,6-dioxo-8-(p-tolylmethylamino)purin-7-yl]acetate CAS Name: 2-[3-methyl-8-[(4-methylphenyl)methylamino]-2,6-dioxo-7-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-methyl-8-[(4-methylphenyl)methylamino]-2,6-dioxopurin-7-yl]acetate Traditional Name: 2-[2,6-diketo-3-methyl-8-[(4-methylbenzyl)amino]purin-7-yl]acetic acid methyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(=O)OC)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(=O)OC)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H19N5O4/c1-10-4-6-11(7-5-10)8-18-16-19-14-13(22(16)9-12(23)26-3)15(24)20-17(25)21(14)2/h4-7H,8-9H2,1-3H3,(H,18,19)(H,20,24,25)