2-methylpropyl 4-methyl-6-[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-(4-methylphenyl)sulfonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-6-[3-methyl-4-(p-tolylsulfonyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(3-methyl-4-tosyl-piperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C29H34N4O5S MolecularWeight: 550.66906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

InChI

InChI=1S/C29H34N4O5S/c1-19(2)18-38-29(35)25-22(5)30-27(23-9-7-6-8-10-23)31-26(25)28(34)32-15-16-33(21(4)17-32)39(36,37)24-13-11-20(3)12-14-24/h6-14,19,21H,15-18H2,1-5H3