3-(1-tert-butyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-cyano-N'-(4-fluorophenyl)azetidine-1-carboximidamide

Systemtic Name: 3-(1-tert-butyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-cyano-N'-(4-fluorophenyl)azetidine-1-carboximidamide Openeye Name: 3-(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-cyano-N'-(4-fluorophenyl)azetidine-1-carboxamidine CAS Name: 3-(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-cyano-N'-(4-fluorophenyl)-1-azetidinecarboximidamide IUPAC Name: 3-(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-cyano-N'-(4-fluorophenyl)azetidine-1-carboximidamide Traditional Name: 3-(1-tert-butyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-N-cyano-N'-(4-fluorophenyl)azetidine-1-carboxamidine Formula: C20H21FN8O MolecularWeight: 408.432143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=NC(=NC(=O)C2=CN1)C3CN(C3)C(=NC4=CC=C(C=C4)F)NC#N

Isomeric SMILES

CC(C)(C)N1C2=NC(=NC(=O)C2=CN1)C3CN(C3)C(=NC4=CC=C(C=C4)F)NC#N

InChI

InChI=1S/C20H21FN8O/c1-20(2,3)29-17-15(8-24-29)18(30)27-16(26-17)12-9-28(10-12)19(23-11-22)25-14-6-4-13(21)5-7-14/h4-8,12,24H,9-10H2,1-3H3,(H,23,25)