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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-7-(4-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-7-(4-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-7-(4-fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-7-(4-fluorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C24H25FN5+ MolecularWeight: 402.487203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FN5/c1-2-28-12-14-29(15-13-28)23-22-21(18-6-4-3-5-7-18)16-30(24(22)27-17-26-23)20-10-8-19(25)9-11-20/h3-11,16-17H,2,12-15H2,1H3/p+1