N-(4-bromophenyl)-2-[5-ethyl-6-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[5-ethyl-6-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[5-ethyl-6-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[[5-ethyl-6-methyl-4-(4-methyl-1-piperazinyl)-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[5-ethyl-6-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[5-ethyl-6-methyl-4-(4-methylpiperazino)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C22H26BrN5OS2 MolecularWeight: 520.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)SCC(=O)NC4=CC=C(C=C4)Br)C

Isomeric SMILES

CCC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C)SCC(=O)NC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C22H26BrN5OS2/c1-4-17-14(2)31-21-19(17)20(28-11-9-27(3)10-12-28)25-22(26-21)30-13-18(29)24-16-7-5-15(23)6-8-16/h5-8H,4,9-13H2,1-3H3,(H,24,29)