2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-[6-(1-pyrrolidinylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(6-pyrrolidinosulfonyl-3,4-dihydro-2H-quinolin-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)N3CCCC4=C3C=CC(=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3CCCC4=C3C=CC(=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C21H24N6O3S2/c1-25-20-17(12-24-25)21(23-14-22-20)31-13-19(28)27-10-4-5-15-11-16(6-7-18(15)27)32(29,30)26-8-2-3-9-26/h6-7,11-12,14H,2-5,8-10,13H2,1H3