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

Systemtic Name: 2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanenitrile Openeye Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanenitrile CAS Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propanenitrile IUPAC Name: 2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanenitrile Traditional Name: 2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propionitrile Formula: C14H11N5OS MolecularWeight: 297.33504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5OS/c1-9(7-15)21-14-17-12-11(13(20)18-14)8-16-19(12)10-5-3-2-4-6-10/h2-6,8-9,16H,1H3