1,3-benzodioxol-5-yl 3-(1-tert-butyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(1-tert-butyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidine-1-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 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 1,3-benzodioxol-5-yl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=NC(=NC(=O)C2=CN1)C3CN(C3)C(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)N1C2=NC(=NC(=O)C2=CN1)C3CN(C3)C(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H21N5O5/c1-20(2,3)25-17-13(7-21-25)18(26)23-16(22-17)11-8-24(9-11)19(27)30-12-4-5-14-15(6-12)29-10-28-14/h4-7,11,21H,8-10H2,1-3H3