4-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]-5-methylidene-3-oxidanylidene-heptanenitrile; triethylazanium

Systemtic Name: 4-[1,3-dimethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]-5-methylidene-3-oxidanylidene-heptanenitrile; triethylazanium Openeye Name: 4-(1,3-dimethyl-2,4,6-trioxo-hexahydropyrimidin-5-ylidene)-5-methylene-3-oxo-heptanenitrile; triethylammonium CAS Name: 4-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-5-methylene-3-oxoheptanenitrile; triethylammonium IUPAC Name: 4-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)-5-methylidene-3-oxoheptanenitrile; triethylazanium Traditional Name: 5-ethyl-3-keto-4-(2,4,6-triketo-1,3-dimethyl-hexahydropyrimidin-5-ylidene)hex-5-enenitrile; triethylammonium Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C(=C1C(=O)N(C(=O)N(C1=O)C)C)C(=O)CC#N.CC[NH+](CC)CC

Isomeric SMILES

CCC(=C)C(=C1C(=O)N(C(=O)N(C1=O)C)C)C(=O)CC#N.CC[NH+](CC)CC

InChI

InChI=1S/C14H15N3O4.C6H15N/c1-5-8(2)10(9(18)6-7-15)11-12(19)16(3)14(21)17(4)13(11)20;1-4-7(5-2)6-3/h2,5-6H2,1,3-4H3;4-6H2,1-3H3/p+1