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

Systemtic Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(p-tolyl)pyrimidine CAS Name: 4-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-6-methyl-2-(4-methylphenyl)-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(4-methylphenyl)pyrimidine Traditional Name: 5-benzyl-4-(4-brosylpiperazino)-6-methyl-2-(p-tolyl)pyrimidine Formula: C29H29BrN4O2S MolecularWeight: 577.53516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H29BrN4O2S/c1-21-8-10-24(11-9-21)28-31-22(2)27(20-23-6-4-3-5-7-23)29(32-28)33-16-18-34(19-17-33)37(35,36)26-14-12-25(30)13-15-26/h3-15H,16-20H2,1-2H3