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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:32509 - pirinixic acid
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ChEBI Name
pirinixic acid
ChEBI ID
CHEBI:32509
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C14H14ClN3O2S
Net Charge
0
Average Mass
323.79868
Monoisotopic Mass
323.04953
InChI
InChI=1S/C14H14ClN3O2S/c1-
8-
4-
3-
5-
10(9(8)
2)
16-
12-
6-
11(15)
17-
14(18-
12)
21-
7-
13(19)
20/h3-
6H,7H2,1-
2H3,(H,19,20)
(H,16,17,18)
InChIKey
SZRPDCCEHVWOJX-UHFFFAOYSA-N
SMILES
Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
ChEBI Ontology
Outgoing
pirinixic acid (
CHEBI:32509
)
has functional parent
acetic acid (
CHEBI:15366
)
pirinixic acid (
CHEBI:32509
)
is a
aryl sulfide (
CHEBI:35683
)
pirinixic acid (
CHEBI:32509
)
is a
organochlorine compound (
CHEBI:36683
)
pirinixic acid (
CHEBI:32509
)
is a
pyrimidines (
CHEBI:39447
)
IUPAC Name
({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid
Synonyms
Sources
((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid
ChemIDplus
(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid
ChemIDplus
WY-14,643
ChemIDplus
Manual Xrefs
Databases
C15617
KEGG COMPOUND
LSM-2015
LINCS
Pirinixic_Acid
Wikipedia
View more database links
Registry Number
Type
Source
50892-23-4
CAS Registry Number
ChemIDplus
Last Modified
24 February 2016