1-(2-chloranyl-6-fluoranyl-phenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-chloranyl-6-fluoranyl-phenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-chloro-6-fluoro-phenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-chloro-6-fluorophenyl)-6-methyl-3-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-chloro-6-fluorophenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-chloro-6-fluoro-phenyl)-6-methyl-3-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H10ClFN4OS MolecularWeight: 324.761103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(NN(C2=N1)C3=C(C=CC=C3Cl)F)SC

Isomeric SMILES

CC1=NC(=O)C2=C(NN(C2=N1)C3=C(C=CC=C3Cl)F)SC

InChI

InChI=1S/C13H10ClFN4OS/c1-6-16-11-9(12(20)17-6)13(21-2)18-19(11)10-7(14)4-3-5-8(10)15/h3-5,18H,1-2H3