1-(1H-indol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(1H-indol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(1H-indol-3-yl)-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(1H-indol-3-yl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C16H13N5OS/c1-21-15-12(7-20-21)16(19-9-18-15)23-8-14(22)11-6-17-13-5-3-2-4-10(11)13/h2-7,9,17H,8H2,1H3