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

Systemtic Name: 1-(3,4-dimethylphenyl)-6-propylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,4-dimethylphenyl)-6-propylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-6-(propylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3,4-dimethylphenyl)-6-propylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,4-dimethylphenyl)-6-(propylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C16H18N4OS/c1-4-7-22-16-18-14-13(15(21)19-16)9-17-20(14)12-6-5-10(2)11(3)8-12/h5-6,8-9,17H,4,7H2,1-3H3