2-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethyl]isoindoline-1,3-quinone Formula: C21H15N5O3 MolecularWeight: 385.3755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H15N5O3/c27-19-17-12-23-26(14-6-2-1-3-7-14)18(17)22-13-24(19)10-11-25-20(28)15-8-4-5-9-16(15)21(25)29/h1-9,12-13H,10-11H2