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

Systemtic Name: 7-(4-bromophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Openeye Name: 7-(4-bromophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine CAS Name: 7-(4-bromophenyl)-4-(4-methyl-1-piperazin-4-iumyl)-5-phenylpyrrolo[2,3-d]pyrimidine IUPAC Name: 7-(4-bromophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenylpyrrolo[2,3-d]pyrimidine Traditional Name: 7-(4-bromophenyl)-4-(4-methylpiperazin-4-ium-1-yl)-5-phenyl-pyrrolo[2,3-d]pyrimidine Formula: C23H23BrN5+ MolecularWeight: 449.36622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN5/c1-27-11-13-28(14-12-27)22-21-20(17-5-3-2-4-6-17)15-29(23(21)26-16-25-22)19-9-7-18(24)8-10-19/h2-10,15-16H,11-14H2,1H3/p+1