4-(4-ethylpiperazin-4-ium-1-yl)-7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-7-(3-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-7-(3-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C25H28N5+ MolecularWeight: 398.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=CC(=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C(=CN3C4=CC=CC(=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5/c1-3-28-12-14-29(15-13-28)24-23-22(20-9-5-4-6-10-20)17-30(25(23)27-18-26-24)21-11-7-8-19(2)16-21/h4-11,16-18H,3,12-15H2,1-2H3/p+1