7-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(3-chlorophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(3-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(3-chlorophenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C25H27ClN5O+ MolecularWeight: 448.96778

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC=NC3=C2C(=CN3C4=CC(=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H26ClN5O/c26-20-8-4-9-21(16-20)31-17-22(19-6-2-1-3-7-19)23-24(28-18-29-25(23)31)27-10-5-11-30-12-14-32-15-13-30/h1-4,6-9,16-18H,5,10-15H2,(H,27,28,29)/p+1