2-methylpropyl 4-methyl-6-(3-methyl-4-quinolin-8-ylsulfonyl-piperazin-1-yl)carbonyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-6-(3-methyl-4-quinolin-8-ylsulfonyl-piperazin-1-yl)carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-6-[3-methyl-4-(8-quinolylsulfonyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(8-quinolinylsulfonyl)-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-6-(3-methyl-4-quinolin-8-ylsulfonylpiperazine-1-carbonyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-(8-quinolylsulfonyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C31H33N5O5S MolecularWeight: 587.68922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)C4=C(C(=NC(=N4)C5=CC=CC=C5)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)C4=C(C(=NC(=N4)C5=CC=CC=C5)C)C(=O)OCC(C)C

InChI

InChI=1S/C31H33N5O5S/c1-20(2)19-41-31(38)26-22(4)33-29(24-10-6-5-7-11-24)34-28(26)30(37)35-16-17-36(21(3)18-35)42(39,40)25-14-8-12-23-13-9-15-32-27(23)25/h5-15,20-21H,16-19H2,1-4H3