2-(3-iodanylphenyl)-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-(3-iodanylphenyl)-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(3-iodophenyl)-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-(3-iodophenyl)-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(3-iodophenyl)-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-(3-iodophenyl)-4-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H9IN2O3 MolecularWeight: 356.11593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC(=CC=C2)I)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC(=CC=C2)I)C(=O)O

InChI

InChI=1S/C12H9IN2O3/c1-6-9(12(17)18)11(16)15-10(14-6)7-3-2-4-8(13)5-7/h2-5H,1H3,(H,17,18)(H,14,15,16)