2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 2,4-dimethyl-6-(4-octylsulfonylpiperazin-1-yl)-5-(p-tolylmethyl)pyrimidine CAS Name: 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-(4-octylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 2,4-dimethyl-5-(4-methylbenzyl)-6-(4-octylsulfonylpiperazino)pyrimidine Formula: C26H40N4O2S MolecularWeight: 472.6864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C26H40N4O2S/c1-5-6-7-8-9-10-19-33(31,32)30-17-15-29(16-18-30)26-25(22(3)27-23(4)28-26)20-24-13-11-21(2)12-14-24/h11-14H,5-10,15-20H2,1-4H3