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2-ethyl-7-(pyrimidin-2-ylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one
2-ethyl-7-(pyrimidin-2-ylsulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one
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Descriptors Computed from Structure
Canonical SMILES:
CCC1=N[N+]2=C(S1)NC(=CC2=O)CSC3=NC=CC=N3
Isomeric SMILES
CCC1=N[N+]2=C(S1)NC(=CC2=O)CSC3=NC=CC=N3
InChI
InChI=1S/C12H11N5OS2/c1-2-9-16-17-10(18)6-8(15-12(17)20-9)7-19-11-13-4-3-5-14-11/h3-6H,2,7H2,1H3/p+1
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