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

Systemtic Name: 2-methylpropyl 2,4-dimethyl-6-(3-methyl-4-quinolin-8-ylsulfonyl-piperazin-1-yl)carbonyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 2,4-dimethyl-6-[3-methyl-4-(8-quinolylsulfonyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(8-quinolinylsulfonyl)-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2,4-dimethyl-6-(3-methyl-4-quinolin-8-ylsulfonylpiperazine-1-carbonyl)pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-[3-methyl-4-(8-quinolylsulfonyl)piperazine-1-carbonyl]pyrimidine-5-carboxylic acid isobutyl ester Formula: C26H31N5O5S MolecularWeight: 525.61984

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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)C)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)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C26H31N5O5S/c1-16(2)15-36-26(33)22-18(4)28-19(5)29-24(22)25(32)30-12-13-31(17(3)14-30)37(34,35)21-10-6-8-20-9-7-11-27-23(20)21/h6-11,16-17H,12-15H2,1-5H3