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

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

Click to see the large picture

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=C4)C(F)(F)F

Isomeric SMILES

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

InChI

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