1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea; 2-methyl-4-oxidanyl-benzoic acid

Systemtic Name: 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea; 2-methyl-4-oxidanyl-benzoic acid Openeye Name: (2,5-dioxoimidazolidin-4-yl)urea; 4-hydroxy-2-methyl-benzoic acid CAS Name: (2,5-dioxo-4-imidazolidinyl)urea; 4-hydroxy-2-methylbenzoic acid IUPAC Name: (2,5-dioxoimidazolidin-4-yl)urea; 4-hydroxy-2-methylbenzoic acid Traditional Name: allantoin; 4-hydroxy-2-methyl-benzoic acid Formula: C12H14N4O6 MolecularWeight: 310.26276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)C(=O)O.C1(C(=O)NC(=O)N1)NC(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)O)C(=O)O.C1(C(=O)NC(=O)N1)NC(=O)N

InChI

InChI=1S/C8H8O3.C4H6N4O3/c1-5-4-6(9)2-3-7(5)8(10)11;5-3(10)6-1-2(9)8-4(11)7-1/h2-4,9H,1H3,(H,10,11);1H,(H3,5,6,10)(H2,7,8,9,11)