tert-butyl 2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate

Systemtic Name: tert-butyl 2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: tert-butyl 2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid tert-butyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O3/c1-17(2,3)24-14(22)10-20-11-18-15-13(16(20)23)9-19-21(15)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3