5-ethyl-4-methyl-2-(3-methylphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 5-ethyl-4-methyl-2-(3-methylphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 5-ethyl-4-methyl-2-(m-tolyl)-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 5-ethyl-4-methyl-2-(3-methylphenyl)-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 5-ethyl-4-methyl-2-(3-methylphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 5-ethyl-4-methyl-2-(m-tolyl)-6-(4-tosylpiperazino)pyrimidine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC(=CC=C4)C)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C4=CC(=CC=C4)C)C

InChI

InChI=1S/C25H30N4O2S/c1-5-23-20(4)26-24(21-8-6-7-19(3)17-21)27-25(23)28-13-15-29(16-14-28)32(30,31)22-11-9-18(2)10-12-22/h6-12,17H,5,13-16H2,1-4H3