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

Systemtic Name: 2-(3-fluorophenyl)-4-methyl-5-(phenylmethyl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidine Traditional Name: 5-benzyl-4-(4-besylpiperazino)-2-(3-fluorophenyl)-6-methyl-pyrimidine Formula: C28H27FN4O2S MolecularWeight: 502.602983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C28H27FN4O2S/c1-21-26(19-22-9-4-2-5-10-22)28(31-27(30-21)23-11-8-12-24(29)20-23)32-15-17-33(18-16-32)36(34,35)25-13-6-3-7-14-25/h2-14,20H,15-19H2,1H3