2-[2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H15N5O3S/c27-18-16-12-22-26(13-6-2-1-3-7-13)17(16)23-21(24-18)30-11-10-25-19(28)14-8-4-5-9-15(14)20(25)29/h1-9,12,22H,10-11H2