4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]butanoic acid

Systemtic Name: 4-[[2,4,6-tris(oxidanylidene)-1,3-diazinan-5-ylidene]methylamino]butanoic acid Openeye Name: 4-[(2,4,6-trioxohexahydropyrimidin-5-ylidene)methylamino]butanoic acid CAS Name: 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]butanoic acid IUPAC Name: 4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methylamino]butanoic acid Traditional Name: 4-[(2,4,6-triketohexahydropyrimidin-5-ylidene)methylamino]butyric acid Formula: C9H11N3O5 MolecularWeight: 241.20074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)CNC=C1C(=O)NC(=O)NC1=O

Isomeric SMILES

C(CC(=O)O)CNC=C1C(=O)NC(=O)NC1=O

InChI

InChI=1S/C9H11N3O5/c13-6(14)2-1-3-10-4-5-7(15)11-9(17)12-8(5)16/h4,10H,1-3H2,(H,13,14)(H2,11,12,15,16,17)