1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H21N5O3S2/c1-33(30,31)27-11-5-6-16-12-17(9-10-20(16)27)21(29)14-32-23-19-13-26-28(22(19)24-15-25-23)18-7-3-2-4-8-18/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3