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

Systemtic Name: 1-but-3-ynyl-2-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-4-amine Openeye Name: 1-but-3-ynyl-2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-4-amine CAS Name: 1-but-3-ynyl-2-[(6-iodo-1,3-benzodioxol-5-yl)thio]-4-imidazo[4,5-c]pyridinamine IUPAC Name: 1-but-3-ynyl-2-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]imidazo[4,5-c]pyridin-4-amine Traditional Name: [1-but-3-ynyl-2-[(6-iodo-1,3-benzodioxol-5-yl)thio]imidazo[4,5-c]pyridin-4-yl]amine Formula: C17H13IN4O2S MolecularWeight: 464.28019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCN1C2=C(C(=NC=C2)N)N=C1SC3=C(C=C4C(=C3)OCO4)I

Isomeric SMILES

C#CCCN1C2=C(C(=NC=C2)N)N=C1SC3=C(C=C4C(=C3)OCO4)I

InChI

InChI=1S/C17H13IN4O2S/c1-2-3-6-22-11-4-5-20-16(19)15(11)21-17(22)25-14-8-13-12(7-10(14)18)23-9-24-13/h1,4-5,7-8H,3,6,9H2,(H2,19,20)