6-[(2,4-dichlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2,4-dichlorophenyl)methylthio]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2,4-dichlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2,4-dichlorobenzyl)thio]-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H14Cl2N4OS MolecularWeight: 417.31166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H14Cl2N4OS/c1-11-2-6-14(7-3-11)25-17-15(9-22-25)18(26)24-19(23-17)27-10-12-4-5-13(20)8-16(12)21/h2-9,22H,10H2,1H3