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

Systemtic Name: 7-(4-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(4-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-phenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-phenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(4-ethoxyphenyl)-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-phenetyl-pyrrolo[2,3-d]pyrimidin-4-yl)amine Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC[NH+]4CCOCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=C2N=CN=C3NCC[NH+]4CCOCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c1-2-33-22-10-8-21(9-11-22)31-18-23(20-6-4-3-5-7-20)24-25(28-19-29-26(24)31)27-12-13-30-14-16-32-17-15-30/h3-11,18-19H,2,12-17H2,1H3,(H,27,28,29)/p+1