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

Systemtic Name: 7-(5-bromanylpyridin-2-yl)-3-(2-diethylaminoethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(5-bromo-2-pyridyl)-3-(2-diethylaminoethyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(5-bromo-2-pyridinyl)-3-(2-diethylaminoethyl)-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(5-bromopyridin-2-yl)-3-(2-diethylaminoethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: 2-[4-amino-7-(5-bromo-2-pyridyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-diethyl-amine Formula: C19H26BrN6+ MolecularWeight: 418.35394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(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+1