[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanoate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-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-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-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-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C19H20ClN5O3 MolecularWeight: 401.8468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)CC2=C(N3C(=NC=N3)N=C2C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)CC2=C(N3C(=NC=N3)N=C2C)C)C

InChI

InChI=1S/C19H20ClN5O3/c1-10-5-11(2)18(15(20)6-10)24-16(26)8-28-17(27)7-14-12(3)23-19-21-9-22-25(19)13(14)4/h5-6,9H,7-8H2,1-4H3,(H,24,26)