(1E)-1-(3-cyano-6-fluoranyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)-3-[3-(dimethylamino)propyl]urea

Systemtic Name: (1E)-1-(3-cyano-6-fluoranyl-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)-3-[3-(dimethylamino)propyl]urea Openeye Name: (1E)-1-(3-cyano-6-fluoro-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)-3-[3-(dimethylamino)propyl]urea CAS Name: (1E)-1-(3-cyano-6-fluoro-1-hydroxy-4-oxido-2-quinoxalin-4-iumylidene)-3-[3-(dimethylamino)propyl]urea IUPAC Name: (1E)-1-(3-cyano-6-fluoro-1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)-3-[3-(dimethylamino)propyl]urea Traditional Name: (1E)-1-(3-cyano-6-fluoro-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)-3-[3-(dimethylamino)propyl]urea Formula: C15H17FN6O3 MolecularWeight: 348.332283

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)N=C1C(=[N+](C2=C(N1O)C=CC(=C2)F)[O-])C#N

Isomeric SMILES

CN(C)CCCNC(=O)/N=C/1\C(=[N+](C2=C(N1O)C=CC(=C2)F)[O-])C#N

InChI

InChI=1S/C15H17FN6O3/c1-20(2)7-3-6-18-15(23)19-14-13(9-17)21(24)12-8-10(16)4-5-11(12)22(14)25/h4-5,8,25H,3,6-7H2,1-2H3,(H,18,23)/b19-14+