2-(3-ethyl-3-methyl-4-nitro-5-sulfonyl-4H-imidazol-3-ium-2-yl)-5-fluoranyl-pyrimidine

Systemtic Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfonyl-4H-imidazol-3-ium-2-yl)-5-fluoranyl-pyrimidine Openeye Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfonyl-4H-imidazol-3-ium-2-yl)-5-fluoro-pyrimidine CAS Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfonyl-4H-imidazol-3-ium-2-yl)-5-fluoropyrimidine IUPAC Name: 2-(3-ethyl-3-methyl-4-nitro-5-sulfonyl-4H-imidazol-3-ium-2-yl)-5-fluoropyrimidine Traditional Name: 2-(1-ethyl-1-methyl-5-nitro-4-sulfonyl-2-imidazolin-1-ium-2-yl)-5-fluoro-pyrimidine Formula: C10H11FN5O4S+ MolecularWeight: 316.288843

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(C(=S(=O)=O)N=C1C2=NC=C(C=N2)F)[N+](=O)[O-])C

Isomeric SMILES

CC[N+]1(C(C(=S(=O)=O)N=C1C2=NC=C(C=N2)F)[N+](=O)[O-])C

InChI

InChI=1S/C10H11FN5O4S/c1-3-16(2)8(7-12-4-6(11)5-13-7)14-9(21(19)20)10(16)15(17)18/h4-5,10H,3H2,1-2H3/q+1