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

Systemtic Name: 8-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]sulfonylquinoline Formula: C27H28FN5O2S MolecularWeight: 505.606923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC(=CC=C5)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC(=CC=C5)F

InChI

InChI=1S/C27H28FN5O2S/c1-3-24-23(18-20-7-4-10-22(28)17-20)27(31-19(2)30-24)32-13-15-33(16-14-32)36(34,35)25-11-5-8-21-9-6-12-29-26(21)25/h4-12,17H,3,13-16,18H2,1-2H3