2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H15N5O2S/c27-20-15-8-4-5-9-16(15)21(28)25(20)10-11-29-19-17-12-24-26(18(17)22-13-23-19)14-6-2-1-3-7-14/h1-9,12-13H,10-11H2