2-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanyl-N-pyridin-2-yl-ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanyl-N-pyridin-2-yl-ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-N-(2-pyridyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidin-1-iumyl)thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-N-pyridin-2-ylacetamide Traditional Name: 2-[(4,6-diaminopyrimidin-1-ium-2-yl)thio]-N-(2-pyridyl)acetamide Formula: C11H13N6OS+ MolecularWeight: 277.32552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(=O)CSC2=NC(=CC(=[NH+]2)N)N

Isomeric SMILES

C1=CC=NC(=C1)NC(=O)CSC2=NC(=CC(=[NH+]2)N)N

InChI

InChI=1S/C11H12N6OS/c12-7-5-8(13)16-11(15-7)19-6-10(18)17-9-3-1-2-4-14-9/h1-5H,6H2,(H,14,17,18)(H4,12,13,15,16)/p+1