3-(phenylmethyl)-5-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-(phenylmethyl)-5-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(phenylmethyl)-5-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H21F3N6O3S MolecularWeight: 518.51145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C23H21F3N6O3S/c24-23(25,26)17-8-4-5-9-18(17)36(34,35)31-12-10-16(11-13-31)20-27-21-19(22(33)28-20)29-30-32(21)14-15-6-2-1-3-7-15/h1-9,16,30H,10-14H2