N-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-2-(trifluoromethyl)benzamide

Systemtic Name: N-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-2-(trifluoromethyl)benzamide Openeye Name: N-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-2-(trifluoromethyl)benzamide CAS Name: N-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)-2-(trifluoromethyl)benzamide IUPAC Name: N-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-2-(trifluoromethyl)benzamide Traditional Name: N-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)-2-(trifluoromethyl)benzamide Formula: C19H12F3N5O2 MolecularWeight: 399.32609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)NC(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C19H12F3N5O2/c20-19(21,22)15-9-5-4-8-13(15)17(28)25-26-11-23-16-14(18(26)29)10-24-27(16)12-6-2-1-3-7-12/h1-11H,(H,25,28)