3-phenylpropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-morpholin-4-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-morpholin-4-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-morpholinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-6-[2-(4-morpholinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-morpholin-4-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-6-(2-morpholinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C28H33Cl2N3O4S MolecularWeight: 578.55032

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=C(N1)COCCN2CCOCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CSC1=NC(C(=C(N1)COCCN2CCOCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H33Cl2N3O4S/c1-38-28-31-24(19-36-17-13-33-11-15-35-16-12-33)25(26(32-28)21-9-10-22(29)23(30)18-21)27(34)37-14-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-10,18,26H,5,8,11-17,19H2,1H3,(H,31,32)