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

Systemtic Name: 1-[[4-(4-chlorophenyl)carbonylphenyl]methylsulfanyl]-5-ethyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-5-ethyl-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-[[4-[(4-chlorophenyl)-oxomethyl]phenyl]methylthio]-5-ethyl-6-(methylthio)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-[[4-(4-chlorobenzoyl)phenyl]methylsulfanyl]-5-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-[[4-(4-chlorobenzoyl)benzyl]thio]-5-ethyl-6-(methylthio)pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H19ClN4O2S2 MolecularWeight: 470.99486

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SC)N(N=C2)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SC)N(N=C2)SCC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN4O2S2/c1-3-26-21(29)18-12-24-27(20(18)25-22(26)30-2)31-13-14-4-6-15(7-5-14)19(28)16-8-10-17(23)11-9-16/h4-12H,3,13H2,1-2H3