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

Systemtic Name: 1-(1H-indol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(1H-indol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(1H-indol-3-yl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(1H-indol-3-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C21H15N5OS MolecularWeight: 385.4417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H15N5OS/c27-19(16-10-22-18-9-5-4-8-15(16)18)12-28-21-17-11-25-26(20(17)23-13-24-21)14-6-2-1-3-7-14/h1-11,13,22H,12H2