3-phenylpropyl 4-(3-chlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-phenylpropyl 4-(3-chlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(3-chlorophenyl)-2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3-chlorophenyl)-2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3-chlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3-chlorophenyl)-2-(methylthio)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C29H36ClN3O3S MolecularWeight: 542.13244

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C29H36ClN3O3S/c1-37-29-31-25(21-35-19-17-33-15-6-3-7-16-33)26(27(32-29)23-13-8-14-24(30)20-23)28(34)36-18-9-12-22-10-4-2-5-11-22/h2,4-5,8,10-11,13-14,20,27H,3,6-7,9,12,15-19,21H2,1H3,(H,31,32)