2-azanyl-2-(2-methylsulfanylethyl)-3-oxidanylidene-butanoic acid; 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea

Systemtic Name: 2-azanyl-2-(2-methylsulfanylethyl)-3-oxidanylidene-butanoic acid; 1-[2,5-bis(oxidanylidene)imidazolidin-4-yl]urea Openeye Name: 2-amino-2-(2-methylsulfanylethyl)-3-oxo-butanoic acid; (2,5-dioxoimidazolidin-4-yl)urea CAS Name: 2-amino-2-[2-(methylthio)ethyl]-3-oxobutanoic acid; (2,5-dioxo-4-imidazolidinyl)urea IUPAC Name: 2-amino-2-(2-methylsulfanylethyl)-3-oxobutanoic acid; (2,5-dioxoimidazolidin-4-yl)urea Traditional Name: allantoin; 2-amino-3-keto-2-[2-(methylthio)ethyl]butyric acid Formula: C11H19N5O6S MolecularWeight: 349.36346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO3S.C4H6N4O3/c1-5(9)7(8,6(10)11)3-4-12-2;5-3(10)6-1-2(9)8-4(11)7-1/h3-4,8H2,1-2H3,(H,10,11);1H,(H3,5,6,10)(H2,7,8,9,11)