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

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

Systemtic Name:sodium 3-butyl-5-carboxy-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate hydrate
Openeye Name:sodium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate hydrate
CAS Name:sodium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate hydrate
IUPAC Name:sodium 3-butyl-5-carboxy-2,4-dioxo-1H-pyrimidine-6-carboxylate hydrate
Traditional Name:sodium 3-butyl-5-carboxy-2,4-diketo-1H-pyrimidine-6-carboxylate hydrate
Formula: C10H13N2NaO7
MolecularWeight: 296.20919
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(NC1=O)C(=O)[O-])C(=O)O.O.[Na+]


Isomeric SMILES

CCCCN1C(=O)C(=C(NC1=O)C(=O)[O-])C(=O)O.O.[Na+]


InChI

InChI=1S/C10H12N2O6.Na.H2O/c1-2-3-4-12-7(13)5(8(14)15)6(9(16)17)11-10(12)18;;/h2-4H2,1H3,(H,11,18)(H,14,15)(H,16,17);;1H2/q;+1;/p-1


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