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

Systemtic Name: 2-[6-(cyanomethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanenitrile Openeye Name: 2-[6-(cyanomethylsulfanyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetonitrile CAS Name: 2-[[6-(cyanomethylthio)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[6-(cyanomethylsulfanyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetonitrile Traditional Name: 2-[[6-(cyanomethylthio)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetonitrile Formula: C15H10N6S2 MolecularWeight: 338.4101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC#N)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC#N)SCC#N

InChI

InChI=1S/C15H10N6S2/c16-6-8-22-14-12-10-18-21(11-4-2-1-3-5-11)13(12)19-15(20-14)23-9-7-17/h1-5,10H,8-9H2