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

Systemtic Name: 2-[4-[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[7-(4-bromophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C24H25BrN5O+ MolecularWeight: 479.3922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=NC=NC3=C2C(=CN3C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C24H24BrN5O/c25-19-6-8-20(9-7-19)30-16-21(18-4-2-1-3-5-18)22-23(26-17-27-24(22)30)29-12-10-28(11-13-29)14-15-31/h1-9,16-17,31H,10-15H2/p+1