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

Systemtic Name: 1-(4-methylphenyl)-6-pentylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-pentylsulfanyl-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-(pentylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-pentylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(amylthio)-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-3-4-5-10-23-17-19-15-14(16(22)20-17)11-18-21(15)13-8-6-12(2)7-9-13/h6-9,11,18H,3-5,10H2,1-2H3