ethyl 2-[2-azanyl-3-[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-5-oxidanylidene-4H-imidazol-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-5-oxidanylidene-4H-imidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-5-oxo-4H-imidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[4-(methylamino)-6-(methylthio)-1,3,5-triazin-2-yl]-5-oxo-4H-imidazol-1-ium-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-5-oxo-4H-imidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-5-keto-3-[4-(methylamino)-6-(methylthio)-s-triazin-2-yl]-2-imidazolin-1-ium-1-yl]acetic acid ethyl ester Formula: C12H18N7O3S+ MolecularWeight: 340.38142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(CC1=O)C2=NC(=NC(=N2)SC)NC)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(CC1=O)C2=NC(=NC(=N2)SC)NC)N

InChI

InChI=1S/C12H17N7O3S/c1-4-22-8(21)6-18-7(20)5-19(9(18)13)11-15-10(14-2)16-12(17-11)23-3/h13H,4-6H2,1-3H3,(H,14,15,16,17)/p+1