[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(pyrimidin-2-yl)amino]ethanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate CAS Name: 2-[methyl(2-pyrimidinyl)amino]acetic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate Traditional Name: 2-[methyl(2-pyrimidyl)amino]acetic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C15H15IN4O3 MolecularWeight: 426.20907

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OCC(=O)NC1=CC(=CC=C1)I)C2=NC=CC=N2

Isomeric SMILES

CN(CC(=O)OCC(=O)NC1=CC(=CC=C1)I)C2=NC=CC=N2

InChI

InChI=1S/C15H15IN4O3/c1-20(15-17-6-3-7-18-15)9-14(22)23-10-13(21)19-12-5-2-4-11(16)8-12/h2-8H,9-10H2,1H3,(H,19,21)