8-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]sulfonylquinoline Formula: C26H26FN5O2S MolecularWeight: 491.580343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC(=CC=C5)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC(=CC=C5)F)C

InChI

InChI=1S/C26H26FN5O2S/c1-3-22-18(2)29-25(20-8-4-10-21(27)17-20)30-26(22)31-13-15-32(16-14-31)35(33,34)23-11-5-7-19-9-6-12-28-24(19)23/h4-12,17H,3,13-16H2,1-2H3