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

Systemtic Name: 7-(5-bromanylpyridin-2-yl)-5,6-dimethyl-3-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 7-(5-bromo-2-pyridyl)-3-isobutyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 7-(5-bromo-2-pyridinyl)-5,6-dimethyl-3-(2-methylpropyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 7-(5-bromopyridin-2-yl)-5,6-dimethyl-3-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [7-(5-bromo-2-pyridyl)-3-isobutyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN5/c1-10(2)8-22-9-21-17-15(16(22)19)11(3)12(4)23(17)14-6-5-13(18)7-20-14/h5-7,9-10,19H,8H2,1-4H3/p+1