tert-butyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: tert-butyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: tert-butyl 4-(2-chlorophenyl)-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-chlorophenyl)-6-methyl-2-(2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-chlorophenyl)-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid tert-butyl ester Formula: C21H22ClN3O2 MolecularWeight: 383.87128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H22ClN3O2/c1-13-17(20(26)27-21(2,3)4)18(14-9-5-6-10-15(14)22)25-19(24-13)16-11-7-8-12-23-16/h5-12,18H,1-4H3,(H,24,25)