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

Systemtic Name: 3-phenylpropyl 4-(4-methylphenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-4-(p-tolyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-methylphenyl)-2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-methylphenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-6-(2-piperidinoethoxymethyl)-4-(p-tolyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C30H39N3O3S MolecularWeight: 521.71396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=N2)SC)COCCN3CCCCC3)C(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(NC(=N2)SC)COCCN3CCCCC3)C(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C30H39N3O3S/c1-23-13-15-25(16-14-23)28-27(29(34)36-20-9-12-24-10-5-3-6-11-24)26(31-30(32-28)37-2)22-35-21-19-33-17-7-4-8-18-33/h3,5-6,10-11,13-16,28H,4,7-9,12,17-22H2,1-2H3,(H,31,32)