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

Systemtic Name: 1-(3-chlorophenyl)-6-(2-diethylaminoethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(3-chlorophenyl)-6-(2-diethylaminoethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(3-chlorophenyl)-6-(2-diethylaminoethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(3-chlorophenyl)-6-(2-diethylaminoethylsulfanyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(3-chlorophenyl)-6-(2-diethylaminoethylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H20ClN5OS MolecularWeight: 377.8916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCN(CC)CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H20ClN5OS/c1-3-22(4-2)8-9-25-17-20-15-14(16(24)21-17)11-19-23(15)13-7-5-6-12(18)10-13/h5-7,10-11,19H,3-4,8-9H2,1-2H3