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

Systemtic Name: 3-phenylpropyl 2-methylsulfanyl-4-naphthalen-2-yl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 2-methylsulfanyl-4-(2-naphthyl)-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(2-naphthalenyl)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-methylsulfanyl-4-naphthalen-2-yl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(2-naphthyl)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C33H39N3O3S MolecularWeight: 557.74606

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H39N3O3S/c1-40-33-34-29(24-38-22-20-36-18-8-3-9-19-36)30(32(37)39-21-10-13-25-11-4-2-5-12-25)31(35-33)28-17-16-26-14-6-7-15-27(26)23-28/h2,4-7,11-12,14-17,23,31H,3,8-10,13,18-22,24H2,1H3,(H,34,35)