2-[1-(methylamino)-1,4-bis(sulfanyl)pyrimidin-1-ium-4-yl]ethanoic acid

Systemtic Name: 2-[1-(methylamino)-1,4-bis(sulfanyl)pyrimidin-1-ium-4-yl]ethanoic acid Openeye Name: 2-[1-(methylamino)-1,4-bis(sulfanyl)pyrimidin-1-ium-4-yl]acetic acid CAS Name: 2-[1,4-dimercapto-1-(methylamino)-4-pyrimidin-1-iumyl]acetic acid IUPAC Name: 2-[1-(methylamino)-1,4-bis(sulfanyl)pyrimidin-1-ium-4-yl]acetic acid Traditional Name: 2-[1,4-dimercapto-1-(methylamino)pyrimidin-1-ium-4-yl]acetic acid Formula: C7H12N3O2S2+ MolecularWeight: 234.31908

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+]1(C=CC(N=C1)(CC(=O)O)S)S

Isomeric SMILES

CN[N+]1(C=CC(N=C1)(CC(=O)O)S)S

InChI

InChI=1S/C7H11N3O2S2/c1-8-10(14)3-2-7(13,9-5-10)4-6(11)12/h2-3,5,8,14H,4H2,1H3,(H-,11,12,13)/p+1