3-ethyl-2-(6-methoxy-2-methyl-4H-pyrimidin-3-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione

Systemtic Name: 3-ethyl-2-(6-methoxy-2-methyl-4H-pyrimidin-3-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione Openeye Name: 3-ethyl-2-(6-methoxy-2-methyl-4H-pyrimidin-3-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione CAS Name: 3-ethyl-2-(6-methoxy-2-methyl-4H-pyrimidin-3-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione IUPAC Name: 3-ethyl-2-(6-methoxy-2-methyl-4H-pyrimidin-3-yl)-3-methyl-4-nitro-4H-imidazol-3-ium-5-thione Traditional Name: 1-ethyl-2-(6-methoxy-2-methyl-4H-pyrimidin-3-yl)-1-methyl-5-nitro-2-imidazolin-1-ium-4-thione Formula: C12H18N5O3S+ MolecularWeight: 312.36802

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(=S)N=C1N2CC=C(N=C2C)OC)[N+](=O)[O-])C

Isomeric SMILES

CC[N+]1(C(C(=S)N=C1N2CC=C(N=C2C)OC)[N+](=O)[O-])C

InChI

InChI=1S/C12H18N5O3S/c1-5-17(3)11(16(18)19)10(21)14-12(17)15-7-6-9(20-4)13-8(15)2/h6,11H,5,7H2,1-4H3/q+1