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

Systemtic Name: 3-phenylpropyl 2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-4-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-6-(2-piperidinoethoxymethyl)-4-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C27H35N3O3S2 MolecularWeight: 513.7151

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C27H35N3O3S2/c1-34-27-28-22(20-32-18-16-30-14-6-3-7-15-30)24(25(29-27)23-13-9-19-35-23)26(31)33-17-8-12-21-10-4-2-5-11-21/h2,4-5,9-11,13,19,25H,3,6-8,12,14-18,20H2,1H3,(H,28,29)