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

Systemtic Name: 6-butan-2-ylsulfanyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(p-tolyl)-6-sec-butylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(butan-2-ylthio)-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-butan-2-ylsulfanyl-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(p-tolyl)-6-(sec-butylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)SC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)C

InChI

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