3-[4-azanyl-7-(5-bromanylpyridin-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol

Systemtic Name: 3-[4-azanyl-7-(5-bromanylpyridin-2-yl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Openeye Name: 3-[4-amino-7-(5-bromo-2-pyridyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol CAS Name: 3-[4-amino-7-(5-bromo-2-pyridinyl)-5,6-dimethyl-3-pyrrolo[2,3-d]pyrimidin-3-iumyl]-1-propanol IUPAC Name: 3-[4-amino-7-(5-bromopyridin-2-yl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Traditional Name: 3-[4-amino-7-(5-bromo-2-pyridyl)-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-3-ium-3-yl]propan-1-ol Formula: C16H19BrN5O+ MolecularWeight: 377.25896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN5O/c1-10-11(2)22(13-5-4-12(17)8-19-13)16-14(10)15(18)21(9-20-16)6-3-7-23/h4-5,8-9,18,23H,3,6-7H2,1-2H3/p+1