6-[(2-chloranylquinolin-3-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2-chloranylquinolin-3-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2-chloro-3-quinolyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2-chloro-3-quinolinyl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2-chloroquinolin-3-yl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2-chloro-3-quinolyl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H14ClN5OS MolecularWeight: 419.88676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC5=CC=CC=C5N=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC5=CC=CC=C5N=C4Cl

InChI

InChI=1S/C21H14ClN5OS/c22-18-14(10-13-6-4-5-9-17(13)24-18)12-29-21-25-19-16(20(28)26-21)11-23-27(19)15-7-2-1-3-8-15/h1-11,23H,12H2