Pirinixic acid

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Systematic / IUPAC Name: 2-[4-Chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanylacetic acid

ID: Reference2930

Other Names: Pirnixic acid;
WY-14643 ;
Wyeth-14643;
({4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl}thio)acetic acid ;
({4-Chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid ; more

Formula: C14H14ClN3O2S

Class: Therapeutics/Prescription Drugs

Spectral Data

Pirinixic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 4
No. of Spectra 437
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 7/24/2015 12:14:43 PM
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Identificators

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)
InChI Key SZRPDCCEHVWOJX-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C
CAS 50892234
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Other Names Pirnixic acid;
WY-14643 ;
Wyeth-14643;
({4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl}thio)acetic acid ;
({4-Chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid;
({4-Chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}thio)acetic acid;
[4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio]acetic acid;
{[4-Chloro-6-(2,3-dimethylanilino)-2-pyrimidinyl]thio}acetic acid ;
{[4-Chloro-6-(2,3-xylidino)-2-pyrimidinyl]thio}acetic acid ;
2-{4-Chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanylacetic acid ;
4-Chloro-6-(2,3-dimethylphenyl)amino-2-pyrimidinylthioacetic acid;
4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthioacetic acid;
4-Chloro-6-(2,3-xylidinyl)-2-pyrimidinylthioacetic acid;
Acetic acid, ({4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl}thio)- ;
Acetic acid, {[4-chloro-6-(2,3-xylidino)-2-pyrimidinyl]thio}- ;
Acetic acid, 2-({4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl}thio)-

In Other Databases

ChemSpider 5492
Wikipedia Pirinixic acid
KEGG C15617
PubChem 5694
ChemIDPlus 050892234
ChEBI CHEBI:32509