5-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H16ClN5OS MolecularWeight: 433.91334

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H16ClN5OS/c1-30-17-8-7-14-9-15(20(23)26-19(14)10-17)12-27-13-24-21-18(22(27)29)11-25-28(21)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3