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

Systemtic Name: 2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]pentanamide Openeye Name: 2-[(1-phenyl-4-thioxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]pentanamide CAS Name: 2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]pentanamide IUPAC Name: 2-[(1-phenyl-4-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]pentanamide Traditional Name: 2-[(1-phenyl-4-thioxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]valeramide Formula: C16H17N5OS2 MolecularWeight: 359.46908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5OS2/c1-2-6-12(13(17)22)24-16-19-14-11(15(23)20-16)9-18-21(14)10-7-4-3-5-8-10/h3-5,7-9,12,18H,2,6H2,1H3,(H2,17,22)