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

Systemtic Name: 3-(phenylmethyl)-5-(trifluoromethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-(trifluoromethyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-(phenylmethyl)-5-(trifluoromethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-(trifluoromethyl)-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-(trifluoromethyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C12H8F3N5O MolecularWeight: 295.22003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C(F)(F)F

InChI

InChI=1S/C12H8F3N5O/c13-12(14,15)11-16-9-8(10(21)17-11)18-19-20(9)6-7-4-2-1-3-5-7/h1-5,19H,6H2