N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide (CHEBI:143522)

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ChEBI Name	N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide

ChEBI ID	CHEBI:143522

ChEBI ASCII Name	N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide

Definition	A member of the class of pyrimidines that is pyrimidine which is substituted by a [2-{[(difluoromethyl)sulfonyl]amino}-3-(methoxymethyl)phenyl](hydroxy)methyl group at position 2 and by methoxy groups at positions 4 and 6.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C16H19F2N3O6S

Net Charge

Average Mass

419.400

Monoisotopic Mass

419.09626

InChI

InChI=1S/C16H19F2N3O6S/c1-25-8-9-5-4-6-10(13(9)21-28(23,24)16(17)18)14(22)15-19-11(26-2)7-12(20-15)27-3/h4-7,14,16,21-22H,8H2,1-3H3

InChIKey

NTBVTCXMRYKRTB-UHFFFAOYSA-N

SMILES

O(CC1=C(NS(=O)(=O)C(F)F)C(C(C=2N=C(OC)C=C(OC)N2)O)=CC=C1)C

Roles Classification
Application(s):	pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. (via organofluorine pesticide )

ChEBI Ontology
Outgoing	N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide (CHEBI:143522) is a aromatic ether (CHEBI:35618) N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide (CHEBI:143522) is a organofluorine pesticide (CHEBI:38805) N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide (CHEBI:143522) is a pyrimidines (CHEBI:39447) N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide (CHEBI:143522) is a secondary alcohol (CHEBI:35681) N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide (CHEBI:143522) is a sulfonamide (CHEBI:35358)

Incoming	(R)-pyrimisulfan (CHEBI:143523) is a N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide (CHEBI:143522) (S)-pyrimisulfan (CHEBI:143524) is a N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide (CHEBI:143522)

IUPAC Name

N-{2-[(4,6-dimethoxypyrimidin-2-yl)(hydroxy)methyl]-6-(methoxymethyl)phenyl}-1,1-difluoromethanesulfonamide

Last Modified

05 April 2019

General Comment
2019-04-05	This is material with unspecified stereochemistry. There are separate entries for the racemate 'pyrimisulfan' and the individual enantiomers.