3-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[7-(4-bromophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[7-(4-bromophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C23H25BrN5+ MolecularWeight: 451.3821

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCNC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H24BrN5/c1-28(2)14-6-13-25-22-21-20(17-7-4-3-5-8-17)15-29(23(21)27-16-26-22)19-11-9-18(24)10-12-19/h3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,25,26,27)/p+1