2-azanyl-3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid hydrate

Systemtic Name: 2-azanyl-3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]propanoic acid hydrate Openeye Name: 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid hydrate CAS Name: 2-amino-3-(2,4-dioxo-1-pyrimidinyl)propanoic acid hydrate IUPAC Name: 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid hydrate Traditional Name: 2-amino-3-(2,4-diketopyrimidin-1-yl)propionic acid hydrate Formula: C7H11N3O5 MolecularWeight: 217.17934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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