4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(3,4-dichlorophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(3,4-dichlorophenyl)-2-(methylthio)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H25Cl2N3O3S MolecularWeight: 458.4018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25Cl2N3O3S/c1-29-20-23-16(12-28-10-9-25-7-3-2-4-8-25)17(19(26)27)18(24-20)13-5-6-14(21)15(22)11-13/h5-6,11,18H,2-4,7-10,12H2,1H3,(H,23,24)(H,26,27)