Pyrinuron

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Systematic / IUPAC Name: 1-(4-Nitrophenyl)-3-(pyridin-3-ylmethyl)urea

ID: Reference2317

Other Names: Pyriminyl;
1-(3-Pyridylmethyl)-3-(4-nitrophenyl)urea;
Urea, 1-nitrophenyl-3-(3-pyridylmethyl)-;
1-(4-Nitrophenyl)-3-(3-pyridylmethyl)urea;
3-(4-Nitrophenyl)-1-(pyridin-3-ylmethyl)urea

Formula: C13H12N4O3

Class: Pesticides/Herbicides

Spectral Data

Pyrinuron 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/23/2015 10:53:24 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C13H12N4O3/c18-13(15-9-10-2-1-7-14-8-10)16-11-3-5-12(6-4-11)17(19)20/h1-8H,9H2,(H2,15,16,18)
InChI Key CLKZWXHKFXZIMA-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CN=C1)CNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
CAS 53558251
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Other Names Pyriminyl;
1-(3-Pyridylmethyl)-3-(4-nitrophenyl)urea;
Urea, 1-nitrophenyl-3-(3-pyridylmethyl)-;
1-(4-Nitrophenyl)-3-(3-pyridylmethyl)urea;
3-(4-Nitrophenyl)-1-(pyridin-3-ylmethyl)urea

In Other Databases

Wikipedia Pyrinuron
PubChem 40813
ChEMBL CHEMBL1528242
ChemSpider 37276
ChemIDPlus 053558251