2-[4-azanyl-7-(5-bromanylpyridin-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[4-azanyl-7-(5-bromanylpyridin-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-azanium Openeye Name: 2-[4-amino-7-(5-bromo-2-pyridyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium CAS Name: 2-[4-amino-7-(5-bromo-2-pyridinyl)-5,6-dimethyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethyl-diethylammonium IUPAC Name: 2-[4-amino-7-(5-bromopyridin-2-yl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethylazanium Traditional Name: 2-[4-amino-7-(5-bromo-2-pyridyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-ammonium Formula: C19H27BrN6+2 MolecularWeight: 419.36188

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)C3=NC=C(C=C3)Br)N

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(C2=C(N=C1)N(C(=C2C)C)C3=NC=C(C=C3)Br)N

InChI

InChI=1S/C19H25BrN6/c1-5-24(6-2)9-10-25-12-23-19-17(18(25)21)13(3)14(4)26(19)16-8-7-15(20)11-22-16/h7-8,11-12,21H,5-6,9-10H2,1-4H3/p+2