7-(4-bromophenyl)-5-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrolo[2,3-d]pyrimidine

Systemtic Name: 7-(4-bromophenyl)-5-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-bromophenyl)-5-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C29H27BrN5+ MolecularWeight: 525.46218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C(=CN4C5=CC=C(C=C5)Br)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=NC4=C3C(=CN4C5=CC=C(C=C5)Br)C6=CC=CC=C6

InChI

InChI=1S/C29H26BrN5/c30-24-11-13-25(14-12-24)35-20-26(23-9-5-2-6-10-23)27-28(31-21-32-29(27)35)34-17-15-33(16-18-34)19-22-7-3-1-4-8-22/h1-14,20-21H,15-19H2/p+1