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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(4-fluorophenyl)methyl]-5-[1-(2-fluorophenyl)sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-fluorophenyl)methyl]-5-[1-(2-fluorophenyl)sulfonyl-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-fluorophenyl)methyl]-5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-fluorobenzyl)-5-[1-(2-fluorophenyl)sulfonyl-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C22H20F2N6O3S MolecularWeight: 486.494406

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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=CC=C5F

Isomeric SMILES

C1CN(CCC1C2=NC(=O)C3=NNN(C3=N2)CC4=CC=C(C=C4)F)S(=O)(=O)C5=CC=CC=C5F

InChI

InChI=1S/C22H20F2N6O3S/c23-16-7-5-14(6-8-16)13-30-21-19(27-28-30)22(31)26-20(25-21)15-9-11-29(12-10-15)34(32,33)18-4-2-1-3-17(18)24/h1-8,15,28H,9-13H2