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

Systemtic Name: 4,5-dimethyl-2-(3-methylphenyl)-6-[4-(phenylsulfonyl)piperazin-1-yl]pyrimidine Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5,6-dimethyl-2-(m-tolyl)pyrimidine CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-5,6-dimethyl-2-(3-methylphenyl)pyrimidine IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-5,6-dimethyl-2-(3-methylphenyl)pyrimidine Traditional Name: 4-(4-besylpiperazino)-5,6-dimethyl-2-(m-tolyl)pyrimidine Formula: C23H26N4O2S MolecularWeight: 422.54314

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-17-8-7-9-20(16-17)22-24-19(3)18(2)23(25-22)26-12-14-27(15-13-26)30(28,29)21-10-5-4-6-11-21/h4-11,16H,12-15H2,1-3H3