N-(2-bromanyl-4-methyl-phenyl)-2-(6-methyl-4-oxidanylidene-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(6-methyl-4-oxidanylidene-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[6-methyl-4-oxo-5-(1-piperidylsulfonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[6-methyl-4-oxo-5-(1-piperidinylsulfonyl)-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(4-keto-6-methyl-5-piperidinosulfonyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C21H23BrN4O4S2 MolecularWeight: 539.46572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCCCC4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCCCC4)Br

InChI

InChI=1S/C21H23BrN4O4S2/c1-13-6-7-16(15(22)10-13)24-17(27)11-25-12-23-20-18(21(25)28)19(14(2)31-20)32(29,30)26-8-4-3-5-9-26/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,24,27)