sodium 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate

Systemtic Name: sodium 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: sodium 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: sodium 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)propanoate IUPAC Name: sodium 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: sodium 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)propionate Formula: C9H8BrN4NaO4 MolecularWeight: 339.07799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C2=C(N=C1Br)N(C(=O)NC2=O)C.[Na+]

Isomeric SMILES

CC(C(=O)[O-])N1C2=C(N=C1Br)N(C(=O)NC2=O)C.[Na+]

InChI

InChI=1S/C9H9BrN4O4.Na/c1-3(7(16)17)14-4-5(11-8(14)10)13(2)9(18)12-6(4)15;/h3H,1-2H3,(H,16,17)(H,12,15,18);/q;+1/p-1