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

Systemtic Name: 1-(3,4-dimethylphenyl)-6-(1-phenylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,4-dimethylphenyl)-6-(1-phenylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-6-(1-phenylethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3,4-dimethylphenyl)-6-(1-phenylethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,4-dimethylphenyl)-6-(1-phenylethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-13-9-10-17(11-14(13)2)25-19-18(12-22-25)20(26)24-21(23-19)27-15(3)16-7-5-4-6-8-16/h4-12,15,22H,1-3H3