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

Systemtic Name: 2-(4-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide Openeye Name: 2-(4-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide CAS Name: 2-[[4-(methylthio)-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]hexanamide IUPAC Name: 2-(4-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylhexanamide Traditional Name: 2-[[4-(methylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]hexanamide Formula: C18H21N5OS2 MolecularWeight: 387.52224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS2/c1-3-4-10-14(15(19)24)26-18-21-16-13(17(22-18)25-2)11-20-23(16)12-8-6-5-7-9-12/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,24)