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

Systemtic Name: 2-(3-fluorophenyl)-4-methyl-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methyl-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3-fluorophenyl)-6-methylpyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine Traditional Name: 4-(4-besylpiperazino)-2-(3-fluorophenyl)-6-methyl-pyrimidine Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21FN4O2S/c1-16-14-20(24-21(23-16)17-6-5-7-18(22)15-17)25-10-12-26(13-11-25)29(27,28)19-8-3-2-4-9-19/h2-9,14-15H,10-13H2,1H3