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

Systemtic Name: 5-(4-bromophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine Openeye Name: 5-(4-bromophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine CAS Name: 5-(4-bromophenyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-thieno[2,3-d]pyrimidinamine IUPAC Name: 5-(4-bromophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine Traditional Name: [5-(4-bromophenyl)thieno[2,3-d]pyrimidin-4-yl]-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amine Formula: C23H23BrN5S+ MolecularWeight: 481.43122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H22BrN5S/c1-28-10-12-29(13-11-28)19-8-6-18(7-9-19)27-22-21-20(14-30-23(21)26-15-25-22)16-2-4-17(24)5-3-16/h2-9,14-15H,10-13H2,1H3,(H,25,26,27)/p+1