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

Systemtic Name: N-(4-bromophenyl)-2-[4-(4-butylpiperazin-1-yl)-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-(4-butylpiperazin-1-yl)-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromophenyl)-2-[[4-(4-butyl-1-piperazinyl)-5-ethyl-6-methyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(4-butylpiperazin-1-yl)-5-ethyl-6-methylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(4-bromophenyl)-2-[[4-(4-butylpiperazino)-5-ethyl-6-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C25H32BrN5OS2 MolecularWeight: 562.58848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)SCC(=O)NC4=CC=C(C=C4)Br)C)CC

Isomeric SMILES

CCCCN1CCN(CC1)C2=C3C(=C(SC3=NC(=N2)SCC(=O)NC4=CC=C(C=C4)Br)C)CC

InChI

InChI=1S/C25H32BrN5OS2/c1-4-6-11-30-12-14-31(15-13-30)23-22-20(5-2)17(3)34-24(22)29-25(28-23)33-16-21(32)27-19-9-7-18(26)8-10-19/h7-10H,4-6,11-16H2,1-3H3,(H,27,32)