3-[(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methylamino]-1-(2-oxidanylidenepentan-3-yl)pyrazin-2-one

Systemtic Name: 3-[(4-methyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl)methylamino]-1-(2-oxidanylidenepentan-3-yl)pyrazin-2-one Openeye Name: 1-(1-ethyl-2-oxo-propyl)-3-[(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylamino]pyrazin-2-one CAS Name: 3-[(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylamino]-1-(2-oxopentan-3-yl)-2-pyrazinone IUPAC Name: 3-[(4-methyl-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methylamino]-1-(2-oxopentan-3-yl)pyrazin-2-one Traditional Name: 1-(1-ethyl-2-keto-propyl)-3-[(4-methyl-5-oxido-furazan-5-ium-3-yl)methylamino]pyrazin-2-one Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)N1C=CN=C(C1=O)NCC2=NO[N+](=C2C)[O-]

Isomeric SMILES

CCC(C(=O)C)N1C=CN=C(C1=O)NCC2=NO[N+](=C2C)[O-]

InChI

InChI=1S/C13H17N5O4/c1-4-11(9(3)19)17-6-5-14-12(13(17)20)15-7-10-8(2)18(21)22-16-10/h5-6,11H,4,7H2,1-3H3,(H,14,15)