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

Systemtic Name: 3-[[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[7-(4-ethoxyphenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[7-(4-ethoxyphenyl)-5-phenyl-4-pyrrolo[2,3-d]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[7-(4-ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[(5-phenyl-7-p-phenetyl-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propyl]ammonium Formula: C25H30N5O+ MolecularWeight: 416.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCCC[NH+](C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCCC[NH+](C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O/c1-4-31-21-13-11-20(12-14-21)30-17-22(19-9-6-5-7-10-19)23-24(27-18-28-25(23)30)26-15-8-16-29(2)3/h5-7,9-14,17-18H,4,8,15-16H2,1-3H3,(H,26,27,28)/p+1