(2-azanyl-4-methyl-6-thiomorpholin-4-ium-4-ylidene-1,2-dihydropyrimidin-3-yl) hydrogen sulfate hydroxide

Systemtic Name: (2-azanyl-4-methyl-6-thiomorpholin-4-ium-4-ylidene-1,2-dihydropyrimidin-3-yl) hydrogen sulfate hydroxide Openeye Name: (2-amino-4-methyl-6-thiomorpholin-4-ium-4-ylidene-1,2-dihydropyrimidin-3-yl) hydrogen sulfate hydroxide CAS Name: sulfuric acid [2-amino-4-methyl-6-(4-thiomorpholin-4-iumylidene)-1,2-dihydropyrimidin-3-yl] ester hydroxide IUPAC Name: (2-amino-4-methyl-6-thiomorpholin-4-ium-4-ylidene-1,2-dihydropyrimidin-3-yl) hydrogen sulfate hydroxide Traditional Name: sulfuric acid (2-amino-4-methyl-6-thiomorpholin-4-ium-4-ylidene-1,2-dihydropyrimidin-3-yl) ester hydroxide Formula: C9H18N4O5S2 MolecularWeight: 326.39302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2CCSCC2)NC(N1OS(=O)(=O)O)N.[OH-]

Isomeric SMILES

CC1=CC(=[N+]2CCSCC2)NC(N1OS(=O)(=O)O)N.[OH-]

InChI

InChI=1S/C9H16N4O4S2.H2O/c1-7-6-8(12-2-4-18-5-3-12)11-9(10)13(7)17-19(14,15)16;/h6,9H,2-5,10H2,1H3,(H,14,15,16);1H2