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

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-[2,4,6-tris(iodanyl)phenyl]ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-triiodophenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2,4,6-triiodophenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-triiodophenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2,4,6-triiodophenyl)acetamide Formula: C12H9I3N4O2S MolecularWeight: 654.00387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1I)NC(=O)CSC2=NC(=O)C=C(N2)N)I)I

Isomeric SMILES

C1=C(C=C(C(=C1I)NC(=O)CSC2=NC(=O)C=C(N2)N)I)I

InChI

InChI=1S/C12H9I3N4O2S/c13-5-1-6(14)11(7(15)2-5)18-10(21)4-22-12-17-8(16)3-9(20)19-12/h1-3H,4H2,(H,18,21)(H3,16,17,19,20)