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

Systemtic Name: 7-(5-bromanylpyridin-2-yl)-3-butyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(5-bromo-2-pyridyl)-3-butyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(5-bromo-2-pyridinyl)-3-butyl-5,6-dimethyl-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(5-bromopyridin-2-yl)-3-butyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-(5-bromo-2-pyridyl)-3-butyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C17H21BrN5+ MolecularWeight: 375.28614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN5/c1-4-5-8-22-10-21-17-15(16(22)19)11(2)12(3)23(17)14-7-6-13(18)9-20-14/h6-7,9-10,19H,4-5,8H2,1-3H3/p+1