2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2,4-bis(bromanyl)-6-nitro-phenyl]ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2,4-bis(bromanyl)-6-nitro-phenyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4-dibromo-6-nitro-phenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2,4-dibromo-6-nitrophenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4-dibromo-6-nitrophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2,4-dibromo-6-nitro-phenyl)acetamide Formula: C12H9Br2N5O4S MolecularWeight: 479.10396

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)NC(=O)CSC2=NC(=O)C=C(N2)N)[N+](=O)[O-])Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)NC(=O)CSC2=NC(=O)C=C(N2)N)[N+](=O)[O-])Br

InChI

InChI=1S/C12H9Br2N5O4S/c13-5-1-6(14)11(7(2-5)19(22)23)17-10(21)4-24-12-16-8(15)3-9(20)18-12/h1-3H,4H2,(H,17,21)(H3,15,16,18,20)