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

Systemtic Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)-6-methyl-pyrimidine CAS Name: 4-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)-6-methylpyrimidine Traditional Name: 5-benzyl-4-(4-brosylpiperazino)-2-(3-fluorophenyl)-6-methyl-pyrimidine Formula: C28H26BrFN4O2S MolecularWeight: 581.499043

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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=C(C=C4)Br)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H26BrFN4O2S/c1-20-26(18-21-6-3-2-4-7-21)28(32-27(31-20)22-8-5-9-24(30)19-22)33-14-16-34(17-15-33)37(35,36)25-12-10-23(29)11-13-25/h2-13,19H,14-18H2,1H3