3-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)propanoic acid hydrate

Systemtic Name: 3-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)propanoic acid hydrate Openeye Name: 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoic acid hydrate CAS Name: 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoic acid hydrate IUPAC Name: 3-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoic acid hydrate Traditional Name: 3-(2-amino-4-hydroxy-6-keto-1H-pyrimidin-5-yl)propionic acid hydrate Formula: C7H11N3O5 MolecularWeight: 217.17934

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)C1=C(N=C(NC1=O)N)O.O

Isomeric SMILES

C(CC(=O)O)C1=C(N=C(NC1=O)N)O.O

InChI

InChI=1S/C7H9N3O4.H2O/c8-7-9-5(13)3(6(14)10-7)1-2-4(11)12;/h1-2H2,(H,11,12)(H4,8,9,10,13,14);1H2