2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]hexanamide

Systemtic Name: 2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]hexanamide Openeye Name: 2-[(1-phenyl-4-thioxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]hexanamide CAS Name: 2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]hexanamide IUPAC Name: 2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]hexanamide Traditional Name: 2-[(1-phenyl-4-thioxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]hexanamide Formula: C17H19N5OS2 MolecularWeight: 373.49566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N)SC1=NC(=S)C2=CNN(C2=N1)C3=CC=CC=C3

Isomeric SMILES

CCCCC(C(=O)N)SC1=NC(=S)C2=CNN(C2=N1)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5OS2/c1-2-3-9-13(14(18)23)25-17-20-15-12(16(24)21-17)10-19-22(15)11-7-5-4-6-8-11/h4-8,10,13,19H,2-3,9H2,1H3,(H2,18,23)