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

Systemtic Name: 7-(3-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)-7-(m-tolyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(3-methylphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(3-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: 2-morpholin-4-ium-4-ylethyl-[7-(m-tolyl)-5-phenyl-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(=CC=C1)N2C=C(C3=C2N=CN=C3NCC[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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