N-butyl-4-(fluoranylmethyl)-6-(4-methylsulfanylperoxyphenyl)pyrimidin-2-amine

Systemtic Name: N-butyl-4-(fluoranylmethyl)-6-(4-methylsulfanylperoxyphenyl)pyrimidin-2-amine Openeye Name: N-butyl-4-(fluoromethyl)-6-(4-methylsulfanylperoxyphenyl)pyrimidin-2-amine CAS Name: methanesulfenic acid [4-[2-(butylamino)-6-(fluoromethyl)-4-pyrimidinyl]phenoxy] ester IUPAC Name: N-butyl-4-(fluoromethyl)-6-(4-methylsulfanylperoxyphenyl)pyrimidin-2-amine Traditional Name: butyl-[4-(fluoromethyl)-6-[4-(methylthio)peroxyphenyl]pyrimidin-2-yl]amine Formula: C16H20FN3O2S MolecularWeight: 337.412303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=CC(=N1)CF)C2=CC=C(C=C2)OOSC

Isomeric SMILES

CCCCNC1=NC(=CC(=N1)CF)C2=CC=C(C=C2)OOSC

InChI

InChI=1S/C16H20FN3O2S/c1-3-4-9-18-16-19-13(11-17)10-15(20-16)12-5-7-14(8-6-12)21-22-23-2/h5-8,10H,3-4,9,11H2,1-2H3,(H,18,19,20)