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

Systemtic Name: 7-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(4-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: 2-morpholin-4-ium-4-ylethyl-[5-phenyl-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O/c1-19-7-9-21(10-8-19)30-17-22(20-5-3-2-4-6-20)23-24(27-18-28-25(23)30)26-11-12-29-13-15-31-16-14-29/h2-10,17-18H,11-16H2,1H3,(H,26,27,28)/p+1