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

Systemtic Name: 2-(4-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide Openeye Name: 2-(4-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide CAS Name: 2-[[4-(methylthio)-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]pentanamide IUPAC Name: 2-(4-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpentanamide Traditional Name: 2-[[4-(methylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]valeramide Formula: C17H19N5OS2 MolecularWeight: 373.49566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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