prop-2-ynyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: prop-2-ynyl 4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: prop-2-ynyl 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 prop-2-ynyl ester IUPAC Name: prop-2-ynyl 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 propargyl ester Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O2/c1-3-12-26-20(25)17-13(2)23-19(16-10-6-7-11-22-16)24-18(17)14-8-4-5-9-15(14)21/h1,4-11,18H,12H2,2H3,(H,23,24)