6-[[4-(4-chlorophenyl)carbonylphenyl]methylsulfanyl]-5-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[[4-(4-chlorophenyl)carbonylphenyl]methylsulfanyl]-5-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-5-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methylthio]-5-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-5-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[4-(4-chlorobenzoyl)benzyl]thio]-5-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H17ClN4O2S MolecularWeight: 424.90328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NN=C2)N=C1SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C(=O)C2=C(NN=C2)N=C1SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O2S/c1-2-26-20(28)17-11-23-25-19(17)24-21(26)29-12-13-3-5-14(6-4-13)18(27)15-7-9-16(22)10-8-15/h3-11H,2,12H2,1H3,(H,23,25)