5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-(4-octylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(3-fluorophenyl)methyl]-2,4-dimethyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(3-fluorobenzyl)-2,4-dimethyl-6-(4-octylsulfonylpiperazino)pyrimidine Formula: C25H37FN4O2S MolecularWeight: 476.650283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37FN4O2S/c1-4-5-6-7-8-9-17-33(31,32)30-15-13-29(14-16-30)25-24(20(2)27-21(3)28-25)19-22-11-10-12-23(26)18-22/h10-12,18H,4-9,13-17,19H2,1-3H3