2-[[1-(4-chlorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[1-(4-chlorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[1-(4-chlorophenyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-cyclohexyl-acetamide Formula: C19H20ClN5O2S MolecularWeight: 417.9124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN5O2S/c20-12-6-8-14(9-7-12)25-17-15(10-21-25)18(27)24-19(23-17)28-11-16(26)22-13-4-2-1-3-5-13/h6-10,13,21H,1-5,11H2,(H,22,26)