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

Systemtic Name: 3-phenylpropyl 2-methylsulfanyl-4-(3-nitrophenyl)-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 2-methylsulfanyl-4-(3-nitrophenyl)-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-(3-nitrophenyl)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-methylsulfanyl-4-(3-nitrophenyl)-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-(3-nitrophenyl)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C29H36N4O5S MolecularWeight: 552.68494

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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)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC(C(=C(N1)COCCN2CCCCC2)C(=O)OCCCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H36N4O5S/c1-39-29-30-25(21-37-19-17-32-15-6-3-7-16-32)26(27(31-29)23-13-8-14-24(20-23)33(35)36)28(34)38-18-9-12-22-10-4-2-5-11-22/h2,4-5,8,10-11,13-14,20,27H,3,6-7,9,12,15-19,21H2,1H3,(H,30,31)