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

Systemtic Name: (2-azanyl-4-methyl-6-thiomorpholin-4-ium-4-ylidene-1,2-dihydropyrimidin-3-yl) hydrogen sulfate Openeye Name: (2-amino-4-methyl-6-thiomorpholin-4-ium-4-ylidene-1,2-dihydropyrimidin-3-yl) hydrogen sulfate CAS Name: sulfuric acid [2-amino-4-methyl-6-(4-thiomorpholin-4-iumylidene)-1,2-dihydropyrimidin-3-yl] ester IUPAC Name: (2-amino-4-methyl-6-thiomorpholin-4-ium-4-ylidene-1,2-dihydropyrimidin-3-yl) hydrogen sulfate Traditional Name: sulfuric acid (2-amino-4-methyl-6-thiomorpholin-4-ium-4-ylidene-1,2-dihydropyrimidin-3-yl) ester Formula: C9H17N4O4S2+ MolecularWeight: 309.38568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N4O4S2/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)/p+1