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

Systemtic Name: 3-phenylpropyl 4-(4-ethylphenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(4-ethylphenyl)-2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-ethylphenyl)-2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-ethylphenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-(methylthio)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C31H41N3O3S MolecularWeight: 535.74054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(NC(=N2)SC)COCCN3CCCCC3)C(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(=C(NC(=N2)SC)COCCN3CCCCC3)C(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C31H41N3O3S/c1-3-24-14-16-26(17-15-24)29-28(30(35)37-21-10-13-25-11-6-4-7-12-25)27(32-31(33-29)38-2)23-36-22-20-34-18-8-5-9-19-34/h4,6-7,11-12,14-17,29H,3,5,8-10,13,18-23H2,1-2H3,(H,32,33)