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

Systemtic Name: butyl 2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: 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 butyl ester IUPAC Name: 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 butyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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