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

Systemtic Name: 3-[[7-(3-chloranyl-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[7-(3-chloro-4-methylphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[7-(3-chloro-4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium Formula: C24H27ClN5+ MolecularWeight: 420.95768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3NCCC[NH+](C)C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3NCCC[NH+](C)C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H26ClN5/c1-17-10-11-19(14-21(17)25)30-15-20(18-8-5-4-6-9-18)22-23(27-16-28-24(22)30)26-12-7-13-29(2)3/h4-6,8-11,14-16H,7,12-13H2,1-3H3,(H,26,27,28)/p+1