ethyl 4-(4-chlorophenyl)-6-methyl-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-methyl-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-6-methyl-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-6-methyl-2-(pentylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-6-methyl-2-pentylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(amylthio)-4-(4-chlorophenyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H25ClN2O2S MolecularWeight: 380.932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCSC1=NC(C(=C(N1)C)C(=O)OCC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H25ClN2O2S/c1-4-6-7-12-25-19-21-13(3)16(18(23)24-5-2)17(22-19)14-8-10-15(20)11-9-14/h8-11,17H,4-7,12H2,1-3H3,(H,21,22)