4-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)butanoic acid hydrate

Systemtic Name: 4-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)butanoic acid hydrate Openeye Name: 4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butanoic acid hydrate CAS Name: 4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butanoic acid hydrate IUPAC Name: 4-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butanoic acid hydrate Traditional Name: 4-(2-amino-4-hydroxy-6-keto-1H-pyrimidin-5-yl)butyric acid hydrate Formula: C8H13N3O5 MolecularWeight: 231.20592

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Descriptors Computed from Structure

Canonical SMILES:

C(CC1=C(N=C(NC1=O)N)O)CC(=O)O.O

Isomeric SMILES

C(CC1=C(N=C(NC1=O)N)O)CC(=O)O.O

InChI

InChI=1S/C8H11N3O4.H2O/c9-8-10-6(14)4(7(15)11-8)2-1-3-5(12)13;/h1-3H2,(H,12,13)(H4,9,10,11,14,15);1H2