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

Systemtic Name: 6-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3,5-dimethylphenyl)methylthio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3,5-dimethylbenzyl)thio]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C20H18N4OS/c1-13-8-14(2)10-15(9-13)12-26-20-22-18-17(19(25)23-20)11-21-24(18)16-6-4-3-5-7-16/h3-11,21H,12H2,1-2H3