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I am trying to track down a supplier of this compound (a potential fungal denitrification inhibitor to reduce N20 emissions from pastureland), but all I have is its structure from the computational chemistry paper where it was identified. The supplier wants the formula at the very least. I am not a chemist, but hoped someone here could translate the structure into a formula (or a name.)

enter image description here

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    $\begingroup$ Too short for an answer, but a search using Chemspider (you can draw the structure) gives : chemspider.com/… - so "2-{[4-(1-Piperidinyl)phenyl]amino}-6-propyl-4(1H)-pyrimidinone" $\endgroup$
    – gilleain
    Commented Nov 17, 2022 at 13:50
  • $\begingroup$ If you got your answer, feel free to post a self answer. Self answers are appreciated and it helps future readers. $\endgroup$ Commented Nov 18, 2022 at 4:51

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Thanks to Gilleain's comment, the formula for that structure is:

2-{[4-(1-Piperidinyl)phenyl]amino}-6-propyl-4(1H)-pyrimidinone

Thanks to Chemspider's links, I was able to find a supplier. (But unfortunately, the octanol/water partition coefficient is high (3.6) - which means it's considered bio-accumulative under REACH and very unlikely to be approved for field-spreading.)

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    $\begingroup$ The preferred IUPAC name is: 2-[4-(piperidin-1-yl)anilino]-6-propylpyrimidin-4(1H)-one $\endgroup$
    – Loong
    Commented Nov 18, 2022 at 14:27

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