ethyl 4-(2-chlorophenyl)-6-(2-hydroxyethylsulfanyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-6-(2-hydroxyethylsulfanyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-6-(2-hydroxyethylsulfanyl)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-chlorophenyl)-6-(2-hydroxyethylthio)-2-(2-pyridinyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-6-(2-hydroxyethylsulfanyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(2-chlorophenyl)-6-(2-hydroxyethylthio)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2Cl)C3=CC=CC=N3)SCCO

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2Cl)C3=CC=CC=N3)SCCO

InChI

InChI=1S/C20H20ClN3O3S/c1-2-27-20(26)16-17(13-7-3-4-8-14(13)21)23-18(15-9-5-6-10-22-15)24-19(16)28-12-11-25/h3-10,17,25H,2,11-12H2,1H3,(H,23,24)