ethyl 3-ethyl-6-(2-methoxyphenyl)-4-[[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-6-(2-methoxyphenyl)-4-[[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(2-methoxyphenyl)-4-[[3-methyl-4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(2-methoxyphenyl)-4-[[3-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(2-methoxyphenyl)-4-[[3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-(2-methoxyphenyl)-4-[(3-methyl-4-tosyl-piperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H38N4O6S MolecularWeight: 570.70022

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2OC)C(=O)OCC)CN3CCN(C(C3)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2OC)C(=O)OCC)CN3CCN(C(C3)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H38N4O6S/c1-6-32-24(19-31-16-17-33(21(4)18-31)40(36,37)22-14-12-20(3)13-15-22)26(28(34)39-7-2)27(30-29(32)35)23-10-8-9-11-25(23)38-5/h8-15,21,27H,6-7,16-19H2,1-5H3,(H,30,35)