5-hexyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine

Systemtic Name: 5-hexyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine Openeye Name: 5-hexyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine CAS Name: 5-hexyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine IUPAC Name: 5-hexyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine Traditional Name: 5-hexyl-8-phenyl-7H-[1,2,4]triazolo[5,1-f]purine Formula: C18H20N6 MolecularWeight: 320.3916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=NC=NC2=C3N1NC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCC1=NC2=NC=NC2=C3N1NC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H20N6/c1-2-3-4-8-11-14-21-17-15(19-12-20-17)18-22-16(23-24(14)18)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3,(H,22,23)