2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[5-(1-piperidylsulfonyl)indolin-1-yl]ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-[5-(1-piperidinylsulfonyl)-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(5-piperidinosulfonylindolin-1-yl)ethanone Formula: C21H24N6O3S2 MolecularWeight: 472.58366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3CCC4=C3C=CC(=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C21H24N6O3S2/c1-25-20-17(12-24-25)21(23-14-22-20)31-13-19(28)27-10-7-15-11-16(5-6-18(15)27)32(29,30)26-8-3-2-4-9-26/h5-6,11-12,14H,2-4,7-10,13H2,1H3