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

Systemtic Name: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-3-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-3-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H10ClF3N4OS MolecularWeight: 374.76861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10ClF3N4OS/c1-6-19-11-10(12(23)20-6)13(24-2)21-22(11)9-5-7(14(16,17)18)3-4-8(9)15/h3-5,21H,1-2H3