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6-Ethyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione
SpectraBase Compound ID BqQ8P6HLmcz
InChI InChI=1S/C16H15N5O2/c1-3-20-11(10-7-5-4-6-8-10)9-21-12-13(17-15(20)21)19(2)16(23)18-14(12)22/h4-9H,3H2,1-2H3,(H,18,22,23)
InChIKey KYQBSMCYTXICTJ-UHFFFAOYSA-N
Mol Weight 309.33 g/mol
Molecular Formula C16H15N5O2
Exact Mass 309.122575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lf0RoGnC64n
Name 6-Ethyl-4-methyl-7-phenyl-purino[7,8-a]imidazole-1,3-dione
CAS Registry Number 113312-06-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N5O2
InChI InChI=1S/C16H15N5O2/c1-3-20-11(10-7-5-4-6-8-10)9-21-12-13(17-15(20)21)19(2)16(23)18-14(12)22/h4-9H,3H2,1-2H3,(H,18,22,23)
InChIKey KYQBSMCYTXICTJ-UHFFFAOYSA-N
Molecular Weight 309.329 g/mol
SMILES N1C(N(c2nc3[n](c2C1=O)C=C(N3CC)c1ccccc1)C)=O
SPLASH splash10-066r-0196000000-a11fdcf57cb216088976
Source of Spectrum HC-23-885-0
Synonyms 6-Ethyl-4-methyl-7-phenyl-purin[7,8-a]imidazole-1,3-quinone 8-Ethyl-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,2(3H,8H)-dione 8-Ethyl-1-methyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Wiley ID 1310592