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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-1-ium-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidin-1-iumyl)thio]-N-phenylacetamide IUPAC Name: 2-(4,6-diaminopyrimidin-1-ium-2-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(4,6-diaminopyrimidin-1-ium-2-yl)thio]-N-phenyl-acetamide Formula: C12H14N5OS+ MolecularWeight: 276.33746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5OS/c13-9-6-10(14)17-12(16-9)19-7-11(18)15-8-4-2-1-3-5-8/h1-6H,7H2,(H,15,18)(H4,13,14,16,17)/p+1