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

Systemtic Name: N-(3-bromophenyl)-2-(5,6-dimethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-bromophenyl)acetamide CAS Name: N-(3-bromophenyl)-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-bromophenyl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(3-bromophenyl)acetamide Formula: C19H18BrN3O2S2 MolecularWeight: 464.39912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)Br)CC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)Br)CC=C)C

InChI

InChI=1S/C19H18BrN3O2S2/c1-4-8-23-18(25)16-11(2)12(3)27-17(16)22-19(23)26-10-15(24)21-14-7-5-6-13(20)9-14/h4-7,9H,1,8,10H2,2-3H3,(H,21,24)