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

Systemtic Name: 3-phenylpropyl 2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(4-isopropylphenyl)-2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-4-(4-propan-2-ylphenyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-p-cumenyl-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C32H43N3O3S MolecularWeight: 549.76712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H43N3O3S/c1-24(2)26-14-16-27(17-15-26)30-29(31(36)38-21-10-13-25-11-6-4-7-12-25)28(33-32(34-30)39-3)23-37-22-20-35-18-8-5-9-19-35/h4,6-7,11-12,14-17,24,30H,5,8-10,13,18-23H2,1-3H3,(H,33,34)