(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone (CHEBI:43844)

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CHEBI:43844 - (4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone

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ChEBI ID	CHEBI:43844
ChEBI Name	(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone
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Last Modified	17 October 2009
Downloads	Molfile

Formula	C18H21F2N5O4S
Net Charge	0
Average Mass	441.460
Monoisotopic Mass	441.12823
SMILES	[H]c1nc(N([H])C2([H])C([H])([H])C([H])([H])N(S(=O)(=O)C([H])([H])[H])C([H])([H])C2([H])[H])nc(N([H])[H])c1C(=O)c1c(F)c(F)c([H])c([H])c1OC([H])([H])[H]
InChI	InChI=1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
InChIKey	JRNJNYBQQYBCLE-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone (CHEBI:43844) is a aminopiperidine (CHEBI:48588)
	(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone (CHEBI:43844) is a aminopyrimidine (CHEBI:38338)
	(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone (CHEBI:43844) is a organofluorine compound (CHEBI:37143)
	(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone (CHEBI:43844) is a sulfonamide (CHEBI:35358)

Synonyms	Source
(4-amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone	PDBeChem
(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE	PDBeChem

Manual Xrefs	Databases
LIA	PDBeChem