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

Systemtic Name: 3-phenylpropyl 4-(4-methoxycarbonylphenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(4-methoxycarbonylphenyl)-2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-methoxycarbonylphenyl)-2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-methoxycarbonylphenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-carbomethoxyphenyl)-2-(methylthio)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C31H39N3O5S MolecularWeight: 565.72346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(NC(=N2)SC)COCCN3CCCCC3)C(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(NC(=N2)SC)COCCN3CCCCC3)C(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C31H39N3O5S/c1-37-29(35)25-15-13-24(14-16-25)28-27(30(36)39-20-9-12-23-10-5-3-6-11-23)26(32-31(33-28)40-2)22-38-21-19-34-17-7-4-8-18-34/h3,5-6,10-11,13-16,28H,4,7-9,12,17-22H2,1-2H3,(H,32,33)