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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidin-1-iumyl)thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-1-ium-2-yl)thio]-N-(2-methoxyphenyl)acetamide Formula: C13H16N5O2S+ MolecularWeight: 306.36344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=NC(=CC(=[NH+]2)N)N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=NC(=CC(=[NH+]2)N)N

InChI

InChI=1S/C13H15N5O2S/c1-20-9-5-3-2-4-8(9)16-12(19)7-21-13-17-10(14)6-11(15)18-13/h2-6H,7H2,1H3,(H,16,19)(H4,14,15,17,18)/p+1