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

Systemtic Name: 2-[4-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)butyl]isoindoline-1,3-quinone Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H19N5O3/c29-21-19-14-25-28(16-8-2-1-3-9-16)20(19)24-15-26(21)12-6-7-13-27-22(30)17-10-4-5-11-18(17)23(27)31/h1-5,8-11,14-15H,6-7,12-13H2