2-cyano-3-[5,5-diethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]propanoate; dicyclohexylazanium

Systemtic Name: 2-cyano-3-[5,5-diethyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]propanoate; dicyclohexylazanium Openeye Name: 2-cyano-3-(5,5-diethyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)propanoate; dicyclohexylammonium CAS Name: 2-cyano-3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)propanoate; dicyclohexylammonium IUPAC Name: 2-cyano-3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)propanoate; dicyclohexylazanium Traditional Name: 2-cyano-3-(5,5-diethyl-2,4,6-triketo-hexahydropyrimidin-1-yl)propionate; dicyclohexylammonium Formula: C24H38N4O5 MolecularWeight: 462.58232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)N(C1=O)CC(C#N)C(=O)[O-])CC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCC1(C(=O)NC(=O)N(C1=O)CC(C#N)C(=O)[O-])CC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H15N3O5.C12H23N/c1-3-12(4-2)9(18)14-11(20)15(10(12)19)6-7(5-13)8(16)17;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7H,3-4,6H2,1-2H3,(H,16,17)(H,14,18,20);11-13H,1-10H2