N-(2-bromanyl-4-nitro-phenyl)-2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-2-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4-nitrophenyl)-2-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-2-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C18H17BrN4O4S2 MolecularWeight: 497.38598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)SC(=C2C)C

InChI

InChI=1S/C18H17BrN4O4S2/c1-4-22-17(25)15-9(2)10(3)29-16(15)21-18(22)28-8-14(24)20-13-6-5-11(23(26)27)7-12(13)19/h5-7H,4,8H2,1-3H3,(H,20,24)