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

Systemtic Name: 6-butylsulfanyl-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-butylsulfanyl-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-(butylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-butylsulfanyl-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(butylthio)-1-(3,4-dimethylphenyl)-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:

CCCCSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCCSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=C(C=C3)C)C

InChI

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