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

Systemtic Name: 7-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(4-methylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: 3-morpholin-4-ium-4-ylpropyl-[5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O/c1-20-8-10-22(11-9-20)31-18-23(21-6-3-2-4-7-21)24-25(28-19-29-26(24)31)27-12-5-13-30-14-16-32-17-15-30/h2-4,6-11,18-19H,5,12-17H2,1H3,(H,27,28,29)/p+1