3-(4-Chlorophenyl)-1-propyl-3,7-dihydro-1H-purine-2,6-dione

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Systematic / IUPAC Name: 3-(4-Chlorophenyl)-1-propyl-3,7-dihydro-1H-purine-2,6-dione

ID: Reference4310

Other Names: Arofyllin;
Arofylline;
3-(4-Chlorophenyl)-1-propyl-7H-purine-2,6-dione

Formula: C14H13ClN4O2

Spectral Data

3-(4-Chlorophenyl)-1-propyl-3,7-dihydro-1H-purine-2,6-dione 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 3/21/2016 10:47:51 AM
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Identificators

InChI InChI=1S/C14H13ClN4O2/c1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,17)
InChI Key GVTLDPJNRVMCAL-UHFFFAOYSA-N
Canonical SMILES CCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC=C(C=C3)Cl
CAS 136145078
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Other Names Arofyllin;
Arofylline;
3-(4-Chlorophenyl)-1-propyl-7H-purine-2,6-dione

In Other Databases

KEGG D02985
ChemIDPlus 136145078
ChEMBL CHEMBL1598450
Wikipedia Arofylline
PubChem 166553
ChemSpider 145757