sodium 6-(3-iodanylpropanoylamino)-5-methyl-1,2,4-triazine-3-carboxylate

Systemtic Name: sodium 6-(3-iodanylpropanoylamino)-5-methyl-1,2,4-triazine-3-carboxylate Openeye Name: sodium 6-(3-iodopropanoylamino)-5-methyl-1,2,4-triazine-3-carboxylate CAS Name: sodium 6-[(3-iodo-1-oxopropyl)amino]-5-methyl-1,2,4-triazine-3-carboxylate IUPAC Name: sodium 6-(3-iodopropanoylamino)-5-methyl-1,2,4-triazine-3-carboxylate Traditional Name: sodium 6-(3-iodopropanoylamino)-5-methyl-1,2,4-triazine-3-carboxylate Formula: C8H8IN4NaO3 MolecularWeight: 358.06836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NC(=N1)C(=O)[O-])NC(=O)CCI.[Na+]

Isomeric SMILES

CC1=C(N=NC(=N1)C(=O)[O-])NC(=O)CCI.[Na+]

InChI

InChI=1S/C8H9IN4O3.Na/c1-4-6(11-5(14)2-3-9)12-13-7(10-4)8(15)16;/h2-3H2,1H3,(H,15,16)(H,11,12,14);/q;+1/p-1