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

Systemtic Name: N-(4-bromophenyl)-2-[5-ethyl-6-methyl-4-(4-phenethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[5-ethyl-6-methyl-4-(4-phenethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[[5-ethyl-6-methyl-4-(4-phenethyl-1-piperazinyl)-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[5-ethyl-6-methyl-4-(4-phenethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[5-ethyl-6-methyl-4-(4-phenethylpiperazino)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C29H32BrN5OS2 MolecularWeight: 610.63128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)CCC4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)Br)C

Isomeric SMILES

CCC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)CCC4=CC=CC=C4)SCC(=O)NC5=CC=C(C=C5)Br)C

InChI

InChI=1S/C29H32BrN5OS2/c1-3-24-20(2)38-28-26(24)27(35-17-15-34(16-18-35)14-13-21-7-5-4-6-8-21)32-29(33-28)37-19-25(36)31-23-11-9-22(30)10-12-23/h4-12H,3,13-19H2,1-2H3,(H,31,36)