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

Systemtic Name: 2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C16H13N5O2S/c1-20-13-12(8-19-20)14(18-9-17-13)24-7-6-21-15(22)10-4-2-3-5-11(10)16(21)23/h2-5,8-9H,6-7H2,1H3