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

Systemtic Name: 3-phenylpropyl 2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-4-quinolin-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-4-(2-quinolyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-4-(2-quinolinyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-4-quinolin-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-6-(2-piperidinoethoxymethyl)-4-(2-quinolyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C32H38N4O3S MolecularWeight: 558.73412

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H38N4O3S/c1-40-32-34-28(23-38-22-20-36-18-8-3-9-19-36)29(31(37)39-21-10-13-24-11-4-2-5-12-24)30(35-32)27-17-16-25-14-6-7-15-26(25)33-27/h2,4-7,11-12,14-17,30H,3,8-10,13,18-23H2,1H3,(H,34,35)