methyl 2-[5-methyl-2-[(3-methylphenyl)methylamino]-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[5-methyl-2-[(3-methylphenyl)methylamino]-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[5-methyl-2-(m-tolylmethylamino)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate CAS Name: 2-[5-methyl-2-[(3-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-methyl-2-[(3-methylphenyl)methylamino]-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate Traditional Name: 2-[7-keto-5-methyl-2-[(3-methylbenzyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=NC3=NC(=C(C(=O)N3N2)CC(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=NC3=NC(=C(C(=O)N3N2)CC(=O)OC)C

InChI

InChI=1S/C17H19N5O3/c1-10-5-4-6-12(7-10)9-18-16-20-17-19-11(2)13(8-14(23)25-3)15(24)22(17)21-16/h4-7H,8-9H2,1-3H3,(H2,18,19,20,21)