methyl 3-ethanoyl-7-methyl-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate

Systemtic Name: methyl 3-ethanoyl-7-methyl-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate Openeye Name: methyl 3-acetyl-7-methyl-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate CAS Name: 3-acetyl-7-methyl-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-acetyl-7-methyl-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylate Traditional Name: 3-acetyl-7-methyl-1,5-diphenyl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-6-carboxylic acid methyl ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=NN(C2=N1)C3=CC=CC=C3)C(=O)C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(N2C(=NN(C2=N1)C3=CC=CC=C3)C(=O)C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H20N4O3/c1-14-18(21(28)29-3)19(16-10-6-4-7-11-16)25-20(15(2)27)24-26(22(25)23-14)17-12-8-5-9-13-17/h4-13,19H,1-3H3