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

Systemtic Name: ethyl 3-ethyl-6-(2-methoxyphenyl)-2-oxidanylidene-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-ethyl-6-(2-methoxyphenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-besylpiperazino)methyl]-3-ethyl-2-keto-6-(2-methoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H34N4O6S MolecularWeight: 542.64706

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2OC)C(=O)OCC)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2OC)C(=O)OCC)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O6S/c1-4-31-22(19-29-15-17-30(18-16-29)38(34,35)20-11-7-6-8-12-20)24(26(32)37-5-2)25(28-27(31)33)21-13-9-10-14-23(21)36-3/h6-14,25H,4-5,15-19H2,1-3H3,(H,28,33)