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

Systemtic Name: 3-phenylpropyl 4-(4-methyl-3-nitro-phenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: 3-phenylpropyl 4-(4-methyl-3-nitro-phenyl)-2-methylsulfanyl-6-[2-(1-piperidyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(4-methyl-3-nitrophenyl)-2-(methylthio)-6-[2-(1-piperidinyl)ethoxymethyl]-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(4-methyl-3-nitrophenyl)-2-methylsulfanyl-6-(2-piperidin-1-ylethoxymethyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-methyl-3-nitro-phenyl)-2-(methylthio)-6-(2-piperidinoethoxymethyl)-1,4-dihydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C30H38N4O5S MolecularWeight: 566.71152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C(=C(NC(=N2)SC)COCCN3CCCCC3)C(=O)OCCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2C(=C(NC(=N2)SC)COCCN3CCCCC3)C(=O)OCCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C30H38N4O5S/c1-22-13-14-24(20-26(22)34(36)37)28-27(29(35)39-18-9-12-23-10-5-3-6-11-23)25(31-30(32-28)40-2)21-38-19-17-33-15-7-4-8-16-33/h3,5-6,10-11,13-14,20,28H,4,7-9,12,15-19,21H2,1-2H3,(H,31,32)