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

Systemtic Name: 6-butan-2-ylsulfanyl-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3,4-dimethylphenyl)-6-sec-butylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(butan-2-ylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-butan-2-ylsulfanyl-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3,4-dimethylphenyl)-6-(sec-butylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H20N4OS MolecularWeight: 328.4319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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