ethyl 2-[2-azanyl-3-[4-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-5-oxo-4H-imidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[4-(dimethylamino)-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-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]-5-oxo-4H-imidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-[4-(dimethylamino)-6-(methylthio)-s-triazin-2-yl]-5-keto-2-imidazolin-1-ium-1-yl]acetic acid ethyl ester Formula: C13H20N7O3S+ MolecularWeight: 354.408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N7O3S/c1-5-23-9(22)7-19-8(21)6-20(10(19)14)12-15-11(18(2)3)16-13(17-12)24-4/h14H,5-7H2,1-4H3/p+1