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

Systemtic Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-(4-octylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-ethyl-5-(3-fluorobenzyl)-2-methyl-6-(4-octylsulfonylpiperazino)pyrimidine Formula: C26H39FN4O2S MolecularWeight: 490.676863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39FN4O2S/c1-4-6-7-8-9-10-18-34(32,33)31-16-14-30(15-17-31)26-24(25(5-2)28-21(3)29-26)20-22-12-11-13-23(27)19-22/h11-13,19H,4-10,14-18,20H2,1-3H3