3-phenoxypropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-phenoxypropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenoxypropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenoxypropyl ester IUPAC Name: 3-phenoxypropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenoxypropyl ester Formula: C29H35Cl2N3O4S MolecularWeight: 592.5769

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCOC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCOC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C29H35Cl2N3O4S/c1-39-29-32-25(20-36-18-15-34-13-6-3-7-14-34)26(27(33-29)21-11-12-23(30)24(31)19-21)28(35)38-17-8-16-37-22-9-4-2-5-10-22/h2,4-5,9-12,19,27H,3,6-8,13-18,20H2,1H3,(H,32,33)