For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
8-(Benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID LlYpFmXYftj
InChI InChI=1S/C16H19N5O3/c1-19-13-12(14(23)20(2)16(19)24)21(8-9-22)15(18-13)17-10-11-6-4-3-5-7-11/h3-7,22H,8-10H2,1-2H3,(H,17,18)
InChIKey TVSYQHNNGWVMJX-UHFFFAOYSA-N
Mol Weight 329.36 g/mol
Molecular Formula C16H19N5O3
Exact Mass 329.148789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID bnwhyAMgr7
Name 8-(Benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 1H-Purine-2,6-dione, 3,7-dihydro-8-benzylamino-7-(2-hydroxyethyl)-1,3-dimethyl- 7-(2-hydroxyethyl)-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione 8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-purine-2,6-dione 8-(benzylamino)-7-(2-hydroxyethyl)-1,3-dimethyl-xanthine
CAS Registry Number 57000-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N5O3
InChI InChI=1S/C16H19N5O3/c1-19-13-12(14(23)20(2)16(19)24)21(8-9-22)15(18-13)17-10-11-6-4-3-5-7-11/h3-7,22H,8-10H2,1-2H3,(H,17,18)
InChIKey TVSYQHNNGWVMJX-UHFFFAOYSA-N
Molecular Weight 329.360 g/mol
SMILES OCC[n]1c2c(nc1NCc1ccccc1)N(C(N(C2=O)C)=O)C
SPLASH splash10-0006-9311000000-6a0e5b1d2b16e208efd0
Wiley ID 1455702