4-ethyl-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)-5-(phenylmethyl)pyrimidine

Systemtic Name: 4-ethyl-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-ethyl-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 4-ethyl-2-methyl-6-(4-octylsulfonyl-1-piperazinyl)-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-ethyl-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-benzyl-4-ethyl-2-methyl-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=CC=C3)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O2S/c1-4-6-7-8-9-13-20-33(31,32)30-18-16-29(17-19-30)26-24(21-23-14-11-10-12-15-23)25(5-2)27-22(3)28-26/h10-12,14-15H,4-9,13,16-21H2,1-3H3