2-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-hex-5-ynyl-imidazo[4,5-c]pyridin-4-amine

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-hex-5-ynyl-imidazo[4,5-c]pyridin-4-amine Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-1-hex-5-ynyl-imidazo[4,5-c]pyridin-4-amine CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)thio]-1-hex-5-ynyl-4-imidazo[4,5-c]pyridinamine IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-1-hex-5-ynylimidazo[4,5-c]pyridin-4-amine Traditional Name: [2-[(6-bromo-1,3-benzodioxol-5-yl)thio]-1-hex-5-ynyl-imidazo[4,5-c]pyridin-4-yl]amine Formula: C19H17BrN4O2S MolecularWeight: 445.33288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCCCN1C2=C(C(=NC=C2)N)N=C1SC3=C(C=C4C(=C3)OCO4)Br

Isomeric SMILES

C#CCCCCN1C2=C(C(=NC=C2)N)N=C1SC3=C(C=C4C(=C3)OCO4)Br

InChI

InChI=1S/C19H17BrN4O2S/c1-2-3-4-5-8-24-13-6-7-22-18(21)17(13)23-19(24)27-16-10-15-14(9-12(16)20)25-11-26-15/h1,6-7,9-10H,3-5,8,11H2,(H2,21,22)