7-(5-bromanylpyridin-2-yl)-5,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-(5-bromanylpyridin-2-yl)-5,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-(5-bromo-2-pyridyl)-5,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-(5-bromo-2-pyridinyl)-5,6-dimethyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-(5-bromopyridin-2-yl)-5,6-dimethyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-(5-bromo-2-pyridyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C20H26BrN6O+ MolecularWeight: 446.36404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+]3CCOCC3)C4=NC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCCC[NH+]3CCOCC3)C4=NC=C(C=C4)Br)C

InChI

InChI=1S/C20H25BrN6O/c1-14-15(2)27(17-5-4-16(21)12-23-17)20-18(14)19(24-13-25-20)22-6-3-7-26-8-10-28-11-9-26/h4-5,12-13H,3,6-11H2,1-2H3,(H,22,24,25)/p+1