8-[Benzyl(ethyl)amino]-7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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Systematic / IUPAC Name: 8-[Benzyl(ethyl)amino]-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

ID: Reference4832

Other Names: 1H-Purine-2,6-dione, 8-[ethyl(phenylmethyl)amino]-3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-

Formula: C18H23N5O3

Spectral Data

8-[Benzyl(ethyl)amino]-7-(2-hydroxyethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-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 5/12/2016 2:24:55 PM
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Identificators

InChI InChI=1S/C18H23N5O3/c1-4-22(12-13-8-6-5-7-9-13)17-19-15-14(23(17)10-11-24)16(25)21(3)18(26)20(15)2/h5-9,24H,4,10-12H2,1-3H3
InChI Key TXPMSJDFKLAPQG-UHFFFAOYSA-N
Canonical SMILES CCN(CC1=CC=CC=C1)C2=NC3=C(N2CCO)C(=O)N(C(=O)N3C)C
CAS
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Other Names 1H-Purine-2,6-dione, 8-[ethyl(phenylmethyl)amino]-3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-

In Other Databases

ChemSpider 2103613
PubChem 2825474