1-(2-chloranyl-5-fluoranyl-phenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-chloranyl-5-fluoranyl-phenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-chloro-5-fluoro-phenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-chloro-5-fluorophenyl)-6-methyl-3-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-chloro-5-fluorophenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-chloro-5-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(=C3)F)Cl)SC

Isomeric SMILES

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

InChI

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