2-(1-phenyl-4-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide

Systemtic Name: 2-(1-phenyl-4-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide Openeye Name: 2-(1-phenyl-4-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide CAS Name: 2-[[1-phenyl-4-(propylthio)-6-pyrazolo[3,4-d]pyrimidinyl]thio]hexanamide IUPAC Name: 2-(1-phenyl-4-propylsulfanylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide Traditional Name: 2-[[1-phenyl-4-(propylthio)pyrazolo[3,4-d]pyrimidin-6-yl]thio]hexanamide Formula: C20H25N5OS2 MolecularWeight: 415.5754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCCC

Isomeric SMILES

CCCCC(C(=O)N)SC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SCCC

InChI

InChI=1S/C20H25N5OS2/c1-3-5-11-16(17(21)26)28-20-23-18-15(19(24-20)27-12-4-2)13-22-25(18)14-9-7-6-8-10-14/h6-10,13,16H,3-5,11-12H2,1-2H3,(H2,21,26)