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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(4-fluorophenyl)methyl]-5-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-fluorophenyl)methyl]-5-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-fluorophenyl)methyl]-5-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-fluorobenzyl)-5-[1-[4-(trifluoromethyl)phenyl]sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H20F4N6O3S MolecularWeight: 536.501913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20F4N6O3S/c24-17-5-1-14(2-6-17)13-33-21-19(30-31-33)22(34)29-20(28-21)15-9-11-32(12-10-15)37(35,36)18-7-3-16(4-8-18)23(25,26)27/h1-8,15,31H,9-13H2