2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[3,4,5-tris(bromanyl)-2-methoxy-phenyl]ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[3,4,5-tris(bromanyl)-2-methoxy-phenyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4,5-tribromo-2-methoxy-phenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3,4,5-tribromo-2-methoxy-phenyl)acetamide Formula: C13H11Br3N4O3S MolecularWeight: 543.02844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1NC(=O)CSC2=NC(=O)C=C(N2)N)Br)Br)Br

Isomeric SMILES

COC1=C(C(=C(C=C1NC(=O)CSC2=NC(=O)C=C(N2)N)Br)Br)Br

InChI

InChI=1S/C13H11Br3N4O3S/c1-23-12-6(2-5(14)10(15)11(12)16)18-9(22)4-24-13-19-7(17)3-8(21)20-13/h2-3H,4H2,1H3,(H,18,22)(H3,17,19,20,21)