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

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyl]isoindoline-1,3-quinone Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H17N5O2S/c1-22-15-14(10-21-22)16(20-11-19-15)26-9-5-4-8-23-17(24)12-6-2-3-7-13(12)18(23)25/h2-3,6-7,10-11H,4-5,8-9H2,1H3