5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-(4-tosylpiperazino)pyrimidine Formula: C24H27FN4O2S MolecularWeight: 454.560183

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C24H27FN4O2S/c1-4-22-18(3)26-23(19-6-5-7-20(25)16-19)27-24(22)28-12-14-29(15-13-28)32(30,31)21-10-8-17(2)9-11-21/h5-11,16H,4,12-15H2,1-3H3