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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidin-1-iumyl)thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-1-ium-2-yl)thio]-N-(p-tolyl)acetamide Formula: C13H16N5OS+ MolecularWeight: 290.36404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5OS/c1-8-2-4-9(5-3-8)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+1