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

Systemtic Name: 7-(3-chloranyl-4-methyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(3-chloro-4-methyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(3-chloro-4-methylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(3-chloro-4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(3-chloro-4-methyl-phenyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C26H29ClN5O+ MolecularWeight: 462.99436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3NCCC[NH+]4CCOCC4)C5=CC=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=C2N=CN=C3NCCC[NH+]4CCOCC4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C26H28ClN5O/c1-19-8-9-21(16-23(19)27)32-17-22(20-6-3-2-4-7-20)24-25(29-18-30-26(24)32)28-10-5-11-31-12-14-33-15-13-31/h2-4,6-9,16-18H,5,10-15H2,1H3,(H,28,29,30)/p+1