2-{[4-(tert-Butyl)phenoxy]methyl}-6-[(2-chlorophenyl)imino]-3,6-dihydropyrimidin-4-ol

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Systematic / IUPAC Name: 6-[(2-Chlorophenyl)amino]-2-{[4-(2-methyl-2-propanyl)phenoxy]methyl}-4(1H)-pyrimidinone

ID: Reference6860

Other Names: (4E)-2-[(4-tert-Butylphenoxy)methyl]-4-(2-chlorophenyl)imino-1H-pyrimidin-6-ol ;
4(1H)-Pyrimidinone, 6-[(2-chlorophenyl)amino]-2-{[4-(1,1-dimethylethyl)phenoxy]methyl}-

Formula: C21H22ClN3O2

Spectral Data

2-{[4-(tert-Butyl)phenoxy]methyl}-6-[(2-chlorophenyl)imino]-3,6-dihydropyrimidin-4-ol 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/25/2017 9:15:12 AM
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Identificators

InChI InChI=1S/C21H22ClN3O2/c1-21(2,3)14-8-10-15(11-9-14)27-13-19-24-18(12-20(26)25-19)23-17-7-5-4-6-16(17)22/h4-12H,13H2,1-3H3,(H2,23,24,25,26)
InChI Key RKVMQPKSSYXHJR-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=O)C=C(N2)NC3=CC=CC=C3Cl
CAS
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Other Names (4E)-2-[(4-tert-Butylphenoxy)methyl]-4-(2-chlorophenyl)imino-1H-pyrimidin-6-ol ;
4(1H)-Pyrimidinone, 6-[(2-chlorophenyl)amino]-2-{[4-(1,1-dimethylethyl)phenoxy]methyl}-

In Other Databases

ChemSpider 2027645
PubChem 2746167