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

Systemtic Name: 3-phenylpropyl 2-methylsulfanyl-4-(4-nitro-3-oxidanyl-phenyl)-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(3-hydroxy-4-nitro-phenyl)-2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3-hydroxy-4-nitrophenyl)-2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3-hydroxy-4-nitrophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(3-hydroxy-4-nitro-phenyl)-2-(methylthio)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C29H36N4O6S MolecularWeight: 568.68434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O6S/c1-40-29-30-23(20-38-18-16-32-14-6-3-7-15-32)26(28(35)39-17-8-11-21-9-4-2-5-10-21)27(31-29)22-12-13-24(33(36)37)25(34)19-22/h2,4-5,9-10,12-13,19,27,34H,3,6-8,11,14-18,20H2,1H3,(H,30,31)