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

Systemtic Name: 5-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(2-fluorophenyl)sulfonyl-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(2-fluorophenyl)sulfonyl-3-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-(2-fluorophenyl)sulfonyl-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C22H21FN6O3S MolecularWeight: 468.503943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2F)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2F)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

InChI

InChI=1S/C22H21FN6O3S/c23-17-10-4-5-11-18(17)33(31,32)28-12-6-9-16(14-28)20-24-21-19(22(30)25-20)26-27-29(21)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16,27H,6,9,12-14H2