sodium 5-carboxy-2,4-bis(oxidanylidene)-3-propan-2-yl-1H-pyrimidine-6-carboxylate hydrate

Systemtic Name: sodium 5-carboxy-2,4-bis(oxidanylidene)-3-propan-2-yl-1H-pyrimidine-6-carboxylate hydrate Openeye Name: sodium 5-carboxy-3-isopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylate hydrate CAS Name: sodium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate hydrate IUPAC Name: sodium 5-carboxy-2,4-dioxo-3-propan-2-yl-1H-pyrimidine-6-carboxylate hydrate Traditional Name: sodium 5-carboxy-3-isopropyl-2,4-diketo-1H-pyrimidine-6-carboxylate hydrate Formula: C9H11N2NaO7 MolecularWeight: 282.18261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C(=C(NC1=O)C(=O)[O-])C(=O)O.O.[Na+]

Isomeric SMILES

CC(C)N1C(=O)C(=C(NC1=O)C(=O)[O-])C(=O)O.O.[Na+]

InChI

InChI=1S/C9H10N2O6.Na.H2O/c1-3(2)11-6(12)4(7(13)14)5(8(15)16)10-9(11)17;;/h3H,1-2H3,(H,10,17)(H,13,14)(H,15,16);;1H2/q;+1;/p-1