3-(1,2-oxazol-5-ylmethylamino)-1-(2-oxidanylidenepentan-3-yl)pyrazin-2-one

Systemtic Name: 3-(1,2-oxazol-5-ylmethylamino)-1-(2-oxidanylidenepentan-3-yl)pyrazin-2-one Openeye Name: 1-(1-ethyl-2-oxo-propyl)-3-(isoxazol-5-ylmethylamino)pyrazin-2-one CAS Name: 3-(5-isoxazolylmethylamino)-1-(2-oxopentan-3-yl)-2-pyrazinone IUPAC Name: 3-(1,2-oxazol-5-ylmethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one Traditional Name: 1-(1-ethyl-2-keto-propyl)-3-(isoxazol-5-ylmethylamino)pyrazin-2-one Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)N1C=CN=C(C1=O)NCC2=CC=NO2

Isomeric SMILES

CCC(C(=O)C)N1C=CN=C(C1=O)NCC2=CC=NO2

InChI

InChI=1S/C13H16N4O3/c1-3-11(9(2)18)17-7-6-14-12(13(17)19)15-8-10-4-5-16-20-10/h4-7,11H,3,8H2,1-2H3,(H,14,15)