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

Systemtic Name: 2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 2-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 2-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 2-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C19H19FN4O4S2 MolecularWeight: 450.506963

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])SC(=C2C)C

InChI

InChI=1S/C19H19FN4O4S2/c1-5-23-18(26)15-9(2)10(3)29-17(15)22-19(23)30-11(4)16(25)21-12-6-7-13(20)14(8-12)24(27)28/h6-8,11H,5H2,1-4H3,(H,21,25)