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

Systemtic Name: 3-[[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[7-(3-chlorophenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[7-(3-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C23H25ClN5+ MolecularWeight: 406.9311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5/c1-28(2)13-7-12-25-22-21-20(17-8-4-3-5-9-17)15-29(23(21)27-16-26-22)19-11-6-10-18(24)14-19/h3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,25,26,27)/p+1