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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-7-(4-methylphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-5-phenyl-7-(p-tolyl)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=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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