3-hexyl-5-phenyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine

Systemtic Name: 3-hexyl-5-phenyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine Openeye Name: 3-hexyl-5-phenyl-triazolo[4,5-d]pyrimidin-7-amine CAS Name: 3-hexyl-5-phenyl-7-triazolo[4,5-d]pyrimidinamine IUPAC Name: 3-hexyl-5-phenyltriazolo[4,5-d]pyrimidin-7-amine Traditional Name: (3-hexyl-5-phenyl-triazolo[4,5-d]pyrimidin-7-yl)amine Formula: C16H20N6 MolecularWeight: 296.3702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=NC(=N2)C3=CC=CC=C3)N)N=N1

Isomeric SMILES

CCCCCCN1C2=C(C(=NC(=N2)C3=CC=CC=C3)N)N=N1

InChI

InChI=1S/C16H20N6/c1-2-3-4-8-11-22-16-13(20-21-22)14(17)18-15(19-16)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H2,17,18,19)