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6-chloro-7-deazapurine #258

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IngvarLa opened this issue Jun 6, 2024 · 0 comments

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bug

IngvarLa commented Jun 6, 2024

Opsin gives
ClC1=C2CC=NC2=NC=N1
for 6-chloro-7-deazapurine

I would expect
ClC1=C2C=CNC2=NC=N1

i.e., that an H migrates to the other N in the 5-membered ring, rather than stay on transmuted C

dan2097 added the bug label

dan2097 self-assigned this

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