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

Systemtic Name: 3-phenylpropyl 2-methylsulfanyl-4-phenyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 2-methylsulfanyl-4-phenyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-phenyl-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-methylsulfanyl-4-phenyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-phenyl-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C29H37N3O3S MolecularWeight: 507.68738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N3O3S/c1-36-29-30-25(22-34-21-19-32-17-9-4-10-18-32)26(27(31-29)24-15-7-3-8-16-24)28(33)35-20-11-14-23-12-5-2-6-13-23/h2-3,5-8,12-13,15-16,27H,4,9-11,14,17-22H2,1H3,(H,30,31)