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

Systemtic Name: 5-ethyl-2-(3-fluorophenyl)-4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidine Traditional Name: 4-(4-besylpiperazino)-5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidine Formula: C23H25FN4O2S MolecularWeight: 440.533603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O2S/c1-3-21-17(2)25-22(18-8-7-9-19(24)16-18)26-23(21)27-12-14-28(15-13-27)31(29,30)20-10-5-4-6-11-20/h4-11,16H,3,12-15H2,1-2H3