(3-chlorophenyl) 3-(1-tert-butyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate

Systemtic Name: (3-chlorophenyl) 3-(1-tert-butyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate Openeye Name: (3-chlorophenyl) 3-(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate CAS Name: 3-(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-azetidinecarboxylic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 3-(1-tert-butyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate Traditional Name: 3-(1-tert-butyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylic acid (3-chlorophenyl) ester Formula: C19H20ClN5O3 MolecularWeight: 401.8468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=NC(=NC(=O)C2=CN1)C3CN(C3)C(=O)OC4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)N1C2=NC(=NC(=O)C2=CN1)C3CN(C3)C(=O)OC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H20ClN5O3/c1-19(2,3)25-16-14(8-21-25)17(26)23-15(22-16)11-9-24(10-11)18(27)28-13-6-4-5-12(20)7-13/h4-8,11,21H,9-10H2,1-3H3