3-(N,N'-dimethylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid

Systemtic Name: 3-(N,N'-dimethylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid Openeye Name: 3-(N,N'-dimethylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid CAS Name: 3-[[methylamino(methylimino)methyl]thio]-2-quinoxalinecarboxylic acid IUPAC Name: 3-(N,N'-dimethylcarbamimidoyl)sulfanylquinoxaline-2-carboxylic acid Traditional Name: 3-[(N,N'-dimethylamidino)thio]quinoxaline-2-carboxylic acid Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=NC)SC1=NC2=CC=CC=C2N=C1C(=O)O

Isomeric SMILES

CNC(=NC)SC1=NC2=CC=CC=C2N=C1C(=O)O

InChI

InChI=1S/C12H12N4O2S/c1-13-12(14-2)19-10-9(11(17)18)15-7-5-3-4-6-8(7)16-10/h3-6H,1-2H3,(H,13,14)(H,17,18)