(3-azanyl-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone

Systemtic Name: (3-azanyl-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Openeye Name: (3-amino-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone CAS Name: (3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone IUPAC Name: (3-amino-7-methoxypyrazolo[3,4-b]quinolin-1-yl)-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Traditional Name: (3-amino-7-methoxy-pyrazolo[3,4-b]quinolin-1-yl)-(2-mesyl-3,4-dihydro-1H-isoquinolin-3-yl)methanone Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)C4CC5=CC=CC=C5CN4S(=O)(=O)C)N

Isomeric SMILES

COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)C4CC5=CC=CC=C5CN4S(=O)(=O)C)N

InChI

InChI=1S/C22H21N5O4S/c1-31-16-8-7-14-9-17-20(23)25-27(21(17)24-18(14)11-16)22(28)19-10-13-5-3-4-6-15(13)12-26(19)32(2,29)30/h3-9,11,19H,10,12H2,1-2H3,(H2,23,25)