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

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate CAS Name: 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate Traditional Name: 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=NC=NN12)C)CC(=O)OCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=NC2=NC=NN12)C)CC(=O)OCC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClN5O3/c1-11-15(12(2)24-18(23-11)21-10-22-24)7-17(26)27-9-16(25)20-8-13-4-3-5-14(19)6-13/h3-6,10H,7-9H2,1-2H3,(H,20,25)