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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-5,7-diphenyl-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-5,7-diphenyl-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-5,7-diphenyl-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC=NC3=C2C(=CN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC=NC3=C2C(=CN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O/c1-3-8-20(9-4-1)22-18-30(21-10-5-2-6-11-21)25-23(22)24(27-19-28-25)26-12-7-13-29-14-16-31-17-15-29/h1-6,8-11,18-19H,7,12-17H2,(H,26,27,28)/p+1