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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-bromo-2-fluoro-phenyl)acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-bromo-2-fluoro-phenyl)acetamide Formula: C17H13BrFN3O2S2 MolecularWeight: 454.336423

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)Br)F)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)NC3=C(C=C(C=C3)Br)F)SC=C2

InChI

InChI=1S/C17H13BrFN3O2S2/c1-2-6-22-16(24)11-5-7-25-15(11)21-17(22)26-9-14(23)20-13-4-3-10(18)8-12(13)19/h2-5,7-8H,1,6,9H2,(H,20,23)