N-[(2-chlorophenyl)methyl]-2-[[5-(3,4-dichlorophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[[5-(3,4-dichlorophenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[[5-(3,4-dichlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[[5-(3,4-dichlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[[5-(3,4-dichlorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: N-(2-chlorobenzyl)-2-[[5-(3,4-dichlorophenyl)-4-keto-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C20H14Cl3N5O2S MolecularWeight: 494.78146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC(=C(C=C4)Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC(=C(C=C4)Cl)Cl)Cl

InChI

InChI=1S/C20H14Cl3N5O2S/c21-14-4-2-1-3-11(14)8-24-17(29)10-31-20-26-18-13(9-25-27-18)19(30)28(20)12-5-6-15(22)16(23)7-12/h1-7,9H,8,10H2,(H,24,29)(H,25,27)