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

Systemtic Name: 1-[2,3-bis(chloranyl)phenyl]-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2,3-dichlorophenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2,3-dichlorophenyl)-6-methyl-3-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2,3-dichlorophenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2,3-dichlorophenyl)-6-methyl-3-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C13H10Cl2N4OS MolecularWeight: 341.2157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl2N4OS/c1-6-16-11-9(12(20)17-6)13(21-2)18-19(11)8-5-3-4-7(14)10(8)15/h3-5,18H,1-2H3