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

Systemtic Name: 1-(2-methoxyphenyl)-6-(3-methylbutylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-isopentylsulfanyl-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-methoxyphenyl)-6-(3-methylbutylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-methoxyphenyl)-6-(3-methylbutylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(isoamylthio)-1-(2-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3OC

InChI

InChI=1S/C17H20N4O2S/c1-11(2)8-9-24-17-19-15-12(16(22)20-17)10-18-21(15)13-6-4-5-7-14(13)23-3/h4-7,10-11,18H,8-9H2,1-3H3