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

Systemtic Name: 2-[[1-(4-chlorophenyl)-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[1-(4-chlorophenyl)-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[1-(4-chlorophenyl)-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-phenethyl-acetamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN5O2S/c22-15-6-8-16(9-7-15)27-19-17(12-24-27)20(29)26-21(25-19)30-13-18(28)23-11-10-14-4-2-1-3-5-14/h1-9,12,24H,10-11,13H2,(H,23,28)