sodium; 1,3-dimethyl-7H-purine-2,6-dione; 2-oxidanylidenepropanoate

Systemtic Name: sodium; 1,3-dimethyl-7H-purine-2,6-dione; 2-oxidanylidenepropanoate Openeye Name: sodium; 1,3-dimethyl-7H-purine-2,6-dione; 2-oxopropanoate CAS Name: sodium; 1,3-dimethyl-7H-purine-2,6-dione; 2-oxopropanoate IUPAC Name: sodium; 1,3-dimethyl-7H-purine-2,6-dione; 2-oxopropanoate Traditional Name: sodium; pyruvate; theophylline Formula: C10H11N4NaO5 MolecularWeight: 290.20791

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=O)[O-].CN1C2=C(C(=O)N(C1=O)C)NC=N2.[Na+]

Isomeric SMILES

CC(=O)C(=O)[O-].CN1C2=C(C(=O)N(C1=O)C)NC=N2.[Na+]

InChI

InChI=1S/C7H8N4O2.C3H4O3.Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-2(4)3(5)6;/h3H,1-2H3,(H,8,9);1H3,(H,5,6);/q;;+1/p-1