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

Systemtic Name: 4-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)-5-(p-tolylmethyl)pyrimidine CAS Name: 4-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-6-(4-octylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-2-methyl-5-(4-methylbenzyl)-6-(4-octylsulfonylpiperazino)pyrimidine Formula: C27H42N4O2S MolecularWeight: 486.71298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N4O2S/c1-5-7-8-9-10-11-20-34(32,33)31-18-16-30(17-19-31)27-25(26(6-2)28-23(4)29-27)21-24-14-12-22(3)13-15-24/h12-15H,5-11,16-21H2,1-4H3