1-pentan-3-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-pentan-3-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(1-ethylpropyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-pentan-3-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-pentan-3-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(1-ethylpropyl)-6-[3-(trifluoromethyl)benzyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H19F3N4O MolecularWeight: 364.36487

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=NC(=NC(=O)C2=CN1)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCC(CC)N1C2=NC(=NC(=O)C2=CN1)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O/c1-3-13(4-2)25-16-14(10-22-25)17(26)24-15(23-16)9-11-6-5-7-12(8-11)18(19,20)21/h5-8,10,13,22H,3-4,9H2,1-2H3