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

Systemtic Name: 2-[4-[7-(4-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[7-(4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CCO)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CCO)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O/c1-19-7-9-21(10-8-19)30-17-22(20-5-3-2-4-6-20)23-24(26-18-27-25(23)30)29-13-11-28(12-14-29)15-16-31/h2-10,17-18,31H,11-16H2,1H3/p+1