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

Systemtic Name: 4-methyl-2-(3-methylphenyl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methyl-2-(m-tolyl)pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-methyl-2-(3-methylphenyl)pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methyl-2-(3-methylphenyl)pyrimidine Traditional Name: 4-(4-besylpiperazino)-6-methyl-2-(m-tolyl)pyrimidine Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2S/c1-17-7-6-8-19(15-17)22-23-18(2)16-21(24-22)25-11-13-26(14-12-25)29(27,28)20-9-4-3-5-10-20/h3-10,15-16H,11-14H2,1-2H3