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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[6-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[6-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[6-methyl-5-[(4-methyl-1-piperazinyl)sulfonyl]-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[6-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[4-keto-6-methyl-5-(4-methylpiperazino)sulfonyl-thieno[2,3-d]pyrimidin-3-yl]acetamide Formula: C21H24BrN5O4S2 MolecularWeight: 554.48036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H24BrN5O4S2/c1-13-10-15(22)4-5-16(13)24-17(28)11-26-12-23-20-18(21(26)29)19(14(2)32-20)33(30,31)27-8-6-25(3)7-9-27/h4-5,10,12H,6-9,11H2,1-3H3,(H,24,28)