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

Systemtic Name: 2-[4-[7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[7-(m-tolyl)-5-phenyl-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(=CC=C1)N2C=C(C3=C2N=CN=C3N4CC[NH+](CC4)CCO)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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