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

Systemtic Name: 3-phenylpropyl 4-(4-cyanophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(4-cyanophenyl)-2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-cyanophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-(methylthio)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C30H36N4O3S MolecularWeight: 532.69684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O3S/c1-38-30-32-26(22-36-20-18-34-16-6-3-7-17-34)27(28(33-30)25-14-12-24(21-31)13-15-25)29(35)37-19-8-11-23-9-4-2-5-10-23/h2,4-5,9-10,12-15,28H,3,6-8,11,16-20,22H2,1H3,(H,32,33)