3-ethyl-N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 3-ethyl-N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 3-ethyl-N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 3-ethyl-N-[3-[(4-fluorophenyl)thio]-5-nitrophenyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 3-ethyl-N-[3-(4-fluorophenyl)sulfanyl-5-nitrophenyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 3-ethyl-N-[3-[(4-fluorophenyl)thio]-5-nitro-phenyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H17FN4O4S2 MolecularWeight: 484.523183

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC(=CC(=C3)SC4=CC=C(C=C4)F)[N+](=O)[O-])C

Isomeric SMILES

CCN1C=NC2=C(C1=O)C(=C(S2)C(=O)NC3=CC(=CC(=C3)SC4=CC=C(C=C4)F)[N+](=O)[O-])C

InChI

InChI=1S/C22H17FN4O4S2/c1-3-26-11-24-21-18(22(26)29)12(2)19(33-21)20(28)25-14-8-15(27(30)31)10-17(9-14)32-16-6-4-13(23)5-7-16/h4-11H,3H2,1-2H3,(H,25,28)