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3-[bis(methylamino)methylsulfanyl]quinoxaline-2-carboxylic acid

3-[bis(methylamino)methylsulfanyl]quinoxaline-2-carboxylic acid

Systemtic Name:3-[bis(methylamino)methylsulfanyl]quinoxaline-2-carboxylic acid
Openeye Name:3-[bis(methylamino)methylsulfanyl]quinoxaline-2-carboxylic acid
CAS Name:3-[bis(methylamino)methylthio]-2-quinoxalinecarboxylic acid
IUPAC Name:3-[bis(methylamino)methylsulfanyl]quinoxaline-2-carboxylic acid
Traditional Name:3-[bis(methylamino)methylthio]quinoxaline-2-carboxylic acid
Formula: C12H14N4O2S
MolecularWeight: 278.33016
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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/C12H14N4O2S/c1-13-12(14-2)19-10-9(11(17)18)15-7-5-3-4-6-8(7)16-10/h3-6,12-14H,1-2H3,(H,17,18)


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