3-phenylpropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(4-piperidin-1-ylbutoxymethyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(4-piperidin-1-ylbutoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-[4-(1-piperidyl)butoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-6-[4-(1-piperidinyl)butoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(4-piperidin-1-ylbutoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-6-(4-piperidinobutoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C31H39Cl2N3O3S MolecularWeight: 604.63066

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=C(N1)COCCCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CSC1=NC(C(=C(N1)COCCCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C31H39Cl2N3O3S/c1-40-31-34-27(22-38-19-9-8-18-36-16-6-3-7-17-36)28(29(35-31)24-14-15-25(32)26(33)21-24)30(37)39-20-10-13-23-11-4-2-5-12-23/h2,4-5,11-12,14-15,21,29H,3,6-10,13,16-20,22H2,1H3,(H,34,35)