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

Systemtic Name: 1-tert-butyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-tert-butyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[[4-(trifluoromethyl)phenyl]methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-tert-butyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-tert-butyl-5-[4-(trifluoromethyl)benzyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H17F3N4O MolecularWeight: 350.33829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O/c1-16(2,3)24-14-13(8-22-24)15(25)23(10-21-14)9-11-4-6-12(7-5-11)17(18,19)20/h4-8,10H,9H2,1-3H3