(2S)-3-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methyl-propanoic acid

Systemtic Name: (2S)-3-[5-iodanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methyl-propanoic acid Openeye Name: (2S)-3-(5-iodo-2,4-dioxo-pyrimidin-1-yl)-2-methyl-propanoic acid CAS Name: (2S)-3-(5-iodo-2,4-dioxo-1-pyrimidinyl)-2-methylpropanoic acid IUPAC Name: (2S)-3-(5-iodo-2,4-dioxopyrimidin-1-yl)-2-methylpropanoic acid Traditional Name: (2S)-3-(5-iodo-2,4-diketo-pyrimidin-1-yl)-2-methyl-propionic acid Formula: C8H9IN2O4 MolecularWeight: 324.07253

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C(=O)NC1=O)I)C(=O)O

Isomeric SMILES

C[C@@H](CN1C=C(C(=O)NC1=O)I)C(=O)O

InChI

InChI=1S/C8H9IN2O4/c1-4(7(13)14)2-11-3-5(9)6(12)10-8(11)15/h3-4H,2H2,1H3,(H,13,14)(H,10,12,15)/t4-/m0/s1