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

Systemtic Name: 4-methyl-2-(3-methylphenyl)-6-[4-(phenylsulfonyl)piperazin-1-yl]-5-propan-2-yl-pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5-isopropyl-6-methyl-2-(m-tolyl)pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-6-methyl-2-(3-methylphenyl)-5-propan-2-ylpyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-6-methyl-2-(3-methylphenyl)-5-propan-2-ylpyrimidine Traditional Name: 4-(4-besylpiperazino)-5-isopropyl-6-methyl-2-(m-tolyl)pyrimidine Formula: C25H30N4O2S MolecularWeight: 450.5963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O2S/c1-18(2)23-20(4)26-24(21-10-8-9-19(3)17-21)27-25(23)28-13-15-29(16-14-28)32(30,31)22-11-6-5-7-12-22/h5-12,17-18H,13-16H2,1-4H3