2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

Systemtic Name: 2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile Openeye Name: 2-methylsulfanyl-4-(3-pyridylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile CAS Name: 2-(methylthio)-4-(3-pyridinylmethylamino)-8-pyrazolo[1,5-a][1,3,5]triazinecarbonitrile IUPAC Name: 2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile Traditional Name: 2-(methylthio)-4-(3-pyridylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile Formula: C13H11N7S MolecularWeight: 297.33834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2C(=N1)NCC3=CN=CC=C3)C#N

Isomeric SMILES

CSC1=NC2=C(C=NN2C(=N1)NCC3=CN=CC=C3)C#N

InChI

InChI=1S/C13H11N7S/c1-21-13-18-11-10(5-14)8-17-20(11)12(19-13)16-7-9-3-2-4-15-6-9/h2-4,6,8H,7H2,1H3,(H,16,18,19)