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

Systemtic Name: ethyl 3-ethyl-6-(2-methoxyphenyl)-4-[[3-methyl-4-(phenylsulfonyl)piperazin-1-yl]methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(benzenesulfonyl)-3-methyl-piperazin-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-(benzenesulfonyl)-3-methyl-1-piperazinyl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-besyl-3-methyl-piperazino)methyl]-3-ethyl-2-keto-6-(2-methoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H36N4O6S MolecularWeight: 556.67364

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O6S/c1-5-31-23(19-30-16-17-32(20(3)18-30)39(35,36)21-12-8-7-9-13-21)25(27(33)38-6-2)26(29-28(31)34)22-14-10-11-15-24(22)37-4/h7-15,20,26H,5-6,16-19H2,1-4H3,(H,29,34)