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

Systemtic Name: 4-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-benzyl-6-methyl-2-(m-tolyl)pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidine Traditional Name: 5-benzyl-4-(4-besylpiperazino)-6-methyl-2-(m-tolyl)pyrimidine Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O2S/c1-22-10-9-13-25(20-22)28-30-23(2)27(21-24-11-5-3-6-12-24)29(31-28)32-16-18-33(19-17-32)36(34,35)26-14-7-4-8-15-26/h3-15,20H,16-19,21H2,1-2H3