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

Systemtic Name: 1-[2,4-bis(chloranyl)-6-methyl-phenyl]-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2,4-dichloro-6-methyl-phenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2,4-dichloro-6-methylphenyl)-6-methyl-3-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2,4-dichloro-6-methylphenyl)-6-methyl-3-methylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2,4-dichloro-6-methyl-phenyl)-6-methyl-3-(methylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H12Cl2N4OS MolecularWeight: 355.24228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2C3=NC(=NC(=O)C3=C(N2)SC)C)Cl)Cl

Isomeric SMILES

CC1=CC(=CC(=C1N2C3=NC(=NC(=O)C3=C(N2)SC)C)Cl)Cl

InChI

InChI=1S/C14H12Cl2N4OS/c1-6-4-8(15)5-9(16)11(6)20-12-10(14(19-20)22-3)13(21)18-7(2)17-12/h4-5,19H,1-3H3