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

Systemtic Name: 3-[4-[7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]propan-1-ol Openeye Name: 3-[4-[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]propan-1-ol CAS Name: 3-[4-[7-(3-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]-1-propanol IUPAC Name: 3-[4-[7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]propan-1-ol Traditional Name: 3-[4-[7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]propan-1-ol Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O/c1-20-7-5-10-22(17-20)31-18-23(21-8-3-2-4-9-21)24-25(27-19-28-26(24)31)30-14-12-29(13-15-30)11-6-16-32/h2-5,7-10,17-19,32H,6,11-16H2,1H3/p+1