2-[[5-acetamido-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]sulfanyl]-N-(5-bromanylpyridin-2-yl)ethanamide

Systemtic Name: 2-[[5-acetamido-4,6-bis(oxidanylidene)-1H-pyrimidin-2-yl]sulfanyl]-N-(5-bromanylpyridin-2-yl)ethanamide Openeye Name: 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-bromo-2-pyridyl)acetamide CAS Name: 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)thio]-N-(5-bromo-2-pyridinyl)acetamide IUPAC Name: 2-[(5-acetamido-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-bromopyridin-2-yl)acetamide Traditional Name: 2-[(5-acetamido-4,6-diketo-1H-pyrimidin-2-yl)thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C13H12BrN5O4S MolecularWeight: 414.23448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)NC2=NC=C(C=C2)Br

Isomeric SMILES

CC(=O)NC1C(=O)NC(=NC1=O)SCC(=O)NC2=NC=C(C=C2)Br

InChI

InChI=1S/C13H12BrN5O4S/c1-6(20)16-10-11(22)18-13(19-12(10)23)24-5-9(21)17-8-3-2-7(14)4-15-8/h2-4,10H,5H2,1H3,(H,16,20)(H,15,17,21)(H,18,19,22,23)