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