2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidine-1,3-diium-2-yl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidine-1,3-diiumyl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidine-1,3-diium-2-yl)thio]-N-(m-tolyl)acetamide Formula: C13H17N5OS+2 MolecularWeight: 291.37198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=[NH+]C(=CC(=[NH+]2)N)N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=[NH+]C(=CC(=[NH+]2)N)N

InChI

InChI=1S/C13H15N5OS/c1-8-3-2-4-9(5-8)16-12(19)7-20-13-17-10(14)6-11(15)18-13/h2-6H,7H2,1H3,(H,16,19)(H4,14,15,17,18)/p+2