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

Systemtic Name: 2-[4-azanyl-7-(5-bromanylpyridin-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-azanium Openeye Name: 2-[4-amino-7-(5-bromo-2-pyridyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium CAS Name: 2-[4-amino-7-(5-bromo-2-pyridinyl)-5,6-dimethyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]ethyl-dimethylammonium IUPAC Name: 2-[4-amino-7-(5-bromopyridin-2-yl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethylazanium Traditional Name: 2-[4-amino-7-(5-bromo-2-pyridyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]ethyl-dimethyl-ammonium Formula: C17H23BrN6+2 MolecularWeight: 391.30872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC[NH+](C)C)N)C3=NC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC[NH+](C)C)N)C3=NC=C(C=C3)Br)C

InChI

InChI=1S/C17H21BrN6/c1-11-12(2)24(14-6-5-13(18)9-20-14)17-15(11)16(19)23(10-21-17)8-7-22(3)4/h5-6,9-10,19H,7-8H2,1-4H3/p+2