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

Systemtic Name: 1-(3,4-dimethylphenyl)-6-pentylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,4-dimethylphenyl)-6-pentylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3,4-dimethylphenyl)-6-(pentylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3,4-dimethylphenyl)-6-pentylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(amylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCCSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C18H22N4OS/c1-4-5-6-9-24-18-20-16-15(17(23)21-18)11-19-22(16)14-8-7-12(2)13(3)10-14/h7-8,10-11,19H,4-6,9H2,1-3H3