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

Systemtic Name: ethyl 3-ethyl-4-[[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]methyl]-2-oxidanylidene-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[[3-methyl-4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[3-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[[3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-oxo-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-[(3-methyl-4-tosyl-piperazino)methyl]-6-(3-phenoxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C34H40N4O6S MolecularWeight: 632.7696

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCN(C(C4)C)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCC)CN4CCN(C(C4)C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C34H40N4O6S/c1-5-37-30(23-36-19-20-38(25(4)22-36)45(41,42)29-17-15-24(3)16-18-29)31(33(39)43-6-2)32(35-34(37)40)26-11-10-14-28(21-26)44-27-12-8-7-9-13-27/h7-18,21,25,32H,5-6,19-20,22-23H2,1-4H3,(H,35,40)