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

*Links on SpectraBase are not permalinks.
4-Methyl-6-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione
SpectraBase Compound ID BLLgv9BKkec
InChI InChI=1S/C17H17N5O3/c1-20-14-13(15(24)19-17(20)25)22-10-12(11-6-3-2-4-7-11)21(8-5-9-23)16(22)18-14/h2-4,6-7,10,23H,5,8-9H2,1H3,(H,19,24,25)
InChIKey MXZGYPHSDNJLLF-UHFFFAOYSA-N
Mol Weight 339.36 g/mol
Molecular Formula C17H17N5O3
Exact Mass 339.133139 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 81kkwXxVX8O
Name 4-Methyl-6-(3-oxidanylpropyl)-7-phenyl-purino[7,8-a]imidazole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N5O3
InChI InChI=1S/C17H17N5O3/c1-20-14-13(15(24)19-17(20)25)22-10-12(11-6-3-2-4-7-11)21(8-5-9-23)16(22)18-14/h2-4,6-7,10,23H,5,8-9H2,1H3,(H,19,24,25)
InChIKey MXZGYPHSDNJLLF-UHFFFAOYSA-N
Molecular Weight 339.355 g/mol
SMILES N1C(N(c2nc3N(CCCO)C(=C[n]3c2C1=O)c1ccccc1)C)=O
SPLASH splash10-0006-9631000000-7ccf72975a3468814cfe
Synonyms 6-(3-hydroxypropyl)-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione 6-(3-hydroxypropyl)-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone 8-(3-Hydroxypropyl)-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Wiley ID 1511974