5-[(4-nitrophenyl)methyl]-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(4-nitrophenyl)methyl]-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(4-nitrophenyl)methyl]-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(4-nitrophenyl)methyl]-1-phenyl-6-(trifluoromethyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(4-nitrophenyl)methyl]-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-nitrobenzyl)-1-phenyl-6-(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H12F3N5O3 MolecularWeight: 415.32549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C(F)(F)F)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C(=N3)C(F)(F)F)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12F3N5O3/c20-19(21,22)18-24-16-15(10-23-26(16)13-4-2-1-3-5-13)17(28)25(18)11-12-6-8-14(9-7-12)27(29)30/h1-10H,11H2