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

Systemtic Name: 1-(4-methylphenyl)-6-(2-methylpropylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-isobutylsulfanyl-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-methylphenyl)-6-(2-methylpropylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-methylphenyl)-6-(2-methylpropylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(isobutylthio)-1-(p-tolyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C16H18N4OS MolecularWeight: 314.40532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4OS/c1-10(2)9-22-16-18-14-13(15(21)19-16)8-17-20(14)12-6-4-11(3)5-7-12/h4-8,10,17H,9H2,1-3H3