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

Systemtic Name: N-[2,6-bis(bromanyl)-4-methyl-phenyl]-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-(2,6-dibromo-4-methyl-phenyl)acetamide CAS Name: N-(2,6-dibromo-4-methylphenyl)-2-[(5,6-dimethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(2,6-dibromo-4-methylphenyl)-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-(2,6-dibromo-4-methyl-phenyl)acetamide Formula: C20H19Br2N3O2S2 MolecularWeight: 557.32176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC=C)Br

InChI

InChI=1S/C20H19Br2N3O2S2/c1-5-6-25-19(27)16-11(3)12(4)29-18(16)24-20(25)28-9-15(26)23-17-13(21)7-10(2)8-14(17)22/h5,7-8H,1,6,9H2,2-4H3,(H,23,26)