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

Systemtic Name: 2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbaldehyde Openeye Name: 2-methylsulfanyl-4-(3-pyridylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbaldehyde CAS Name: 2-(methylthio)-4-(3-pyridinylmethylamino)-8-pyrazolo[1,5-a][1,3,5]triazinecarboxaldehyde IUPAC Name: 2-methylsulfanyl-4-(pyridin-3-ylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbaldehyde Traditional Name: 2-(methylthio)-4-(3-pyridylmethylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbaldehyde Formula: C13H12N6OS MolecularWeight: 300.33898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6OS/c1-21-13-17-11-10(8-20)7-16-19(11)12(18-13)15-6-9-3-2-4-14-5-9/h2-5,7-8H,6H2,1H3,(H,15,17,18)