1-[5-(trifluoromethyl)pyridin-2-yl]-2,7-dihydropyrazolo[3,4-d]pyrimidin-1-ium-4-one

Systemtic Name: 1-[5-(trifluoromethyl)pyridin-2-yl]-2,7-dihydropyrazolo[3,4-d]pyrimidin-1-ium-4-one Openeye Name: 1-[5-(trifluoromethyl)-2-pyridyl]-2,7-dihydropyrazolo[3,4-d]pyrimidin-1-ium-4-one CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-2,7-dihydropyrazolo[3,4-d]pyrimidin-1-ium-4-one IUPAC Name: 1-[5-(trifluoromethyl)pyridin-2-yl]-2,7-dihydropyrazolo[3,4-d]pyrimidin-1-ium-4-one Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]-2,7-dihydropyrazolo[3,4-d]pyrimidin-1-ium-4-one Formula: C11H7F3N5O+ MolecularWeight: 282.20139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(F)(F)F)[N+]2=C3C(=CN2)C(=O)N=CN3

Isomeric SMILES

C1=CC(=NC=C1C(F)(F)F)[N+]2=C3C(=CN2)C(=O)N=CN3

InChI

InChI=1S/C11H6F3N5O/c12-11(13,14)6-1-2-8(15-3-6)19-9-7(4-18-19)10(20)17-5-16-9/h1-5H,(H,16,17,18,20)/p+1