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

Systemtic Name: methyl 2-[2-[(3-chlorophenyl)methylamino]-5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(3-chlorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate CAS Name: 2-[2-[(3-chlorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(3-chlorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate Traditional Name: 2-[2-[(3-chlorobenzyl)amino]-7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester Formula: C16H16ClN5O3 MolecularWeight: 361.78294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC(=CC=C3)Cl)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=CC(=CC=C3)Cl)CC(=O)OC

InChI

InChI=1S/C16H16ClN5O3/c1-9-12(7-13(23)25-2)14(24)22-16(19-9)20-15(21-22)18-8-10-4-3-5-11(17)6-10/h3-6H,7-8H2,1-2H3,(H2,18,19,20,21)