5-(4-bromophenyl)-6-ethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: 5-(4-bromophenyl)-6-ethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-bromophenyl)-6-ethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-bromophenyl)-6-ethyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-bromophenyl)-6-ethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-bromophenyl)-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amine Formula: C25H27BrN5S+ MolecularWeight: 509.48438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C5=CC=C(C=C5)Br

Isomeric SMILES

CCC1=C(C2=C(N=CN=C2S1)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)C5=CC=C(C=C5)Br

InChI

InChI=1S/C25H26BrN5S/c1-3-21-22(17-4-6-18(26)7-5-17)23-24(27-16-28-25(23)32-21)29-19-8-10-20(11-9-19)31-14-12-30(2)13-15-31/h4-11,16H,3,12-15H2,1-2H3,(H,27,28,29)/p+1