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

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoranyl-2-nitro-phenyl)ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoro-2-nitro-phenyl)acetamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(4-fluoro-2-nitrophenyl)acetamide IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-fluoro-2-nitrophenyl)acetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-fluoro-2-nitro-phenyl)acetamide Formula: C19H17FN4O4S2 MolecularWeight: 448.491083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-])CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)F)[N+](=O)[O-])CC=C)C

InChI

InChI=1S/C19H17FN4O4S2/c1-4-7-23-18(26)16-10(2)11(3)30-17(16)22-19(23)29-9-15(25)21-13-6-5-12(20)8-14(13)24(27)28/h4-6,8H,1,7,9H2,2-3H3,(H,21,25)