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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C26H26FN5O2S/c1-18-23(17-20-6-3-9-22(27)16-20)26(30-19(2)29-18)31-12-14-32(15-13-31)35(33,34)24-10-4-7-21-8-5-11-28-25(21)24/h3-11,16H,12-15,17H2,1-2H3