2-[3-[(4-azanyl-2-ethyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol bromide hydrobromide

Systemtic Name: 2-[3-[(4-azanyl-2-ethyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol bromide hydrobromide Openeye Name: 2-[3-[(4-amino-2-ethyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol bromide hydrobromide CAS Name: 2-[3-[(4-amino-2-ethyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol bromide hydrobromide IUPAC Name: 2-[3-[(4-amino-2-ethylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol bromide hydrobromide Traditional Name: 2-[3-[(4-amino-2-ethyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol bromide hydrobromide Formula: C13H20Br2N4OS MolecularWeight: 440.1971

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C(=N1)N)C[N+]2=CSC(=C2C)CCO.Br.[Br-]

Isomeric SMILES

CCC1=NC=C(C(=N1)N)C[N+]2=CSC(=C2C)CCO.Br.[Br-]

InChI

InChI=1S/C13H19N4OS.2BrH/c1-3-12-15-6-10(13(14)16-12)7-17-8-19-11(4-5-18)9(17)2;;/h6,8,18H,3-5,7H2,1-2H3,(H2,14,15,16);2*1H/q+1;;/p-1