3-(4-heptylphenyl)-7,9-dimethyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione

SpectraBase Compound ID	GKZBxhUqyLN
InChI	InChI=1S/C22H28N6O2/c1-4-5-6-7-8-9-15-10-12-16(13-11-15)17-14-28-18-19(23-21(28)25-24-17)26(2)22(30)27(3)20(18)29/h10-13H,4-9,14H2,1-3H3,(H,23,25)
InChIKey	BNGKCVSXYRSGDJ-UHFFFAOYSA-N Google Search
Mol Weight	408.51 g/mol
Molecular Formula	C22H28N6O2
Exact Mass	408.227374 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	4uhcJhivKlF
Name	3-(4-heptylphenyl)-7,9-dimethyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H28N6O2
InChI	InChI=1S/C22H28N6O2/c1-4-5-6-7-8-9-15-10-12-16(13-11-15)17-14-28-18-19(23-21(28)25-24-17)26(2)22(30)27(3)20(18)29/h10-13H,4-9,14H2,1-3H3,(H,23,25)
InChIKey	BNGKCVSXYRSGDJ-UHFFFAOYSA-N
Molecular Weight	408.506 g/mol
SMILES	N1c2nc3c([n]2CC(=N1)c1ccc(cc1)CCCCCCC)C(N(C(N3C)=O)C)=O
SPLASH	splash10-0a5c-9610400000-dbe0dc2b886f08527572
Source of Spectrum	IY-2-5008-8
Synonyms	[1,2,4]Triazino[3,4-f]purine-6,8(7H,9H)-dione, 3-(4-heptylphenyl)-1,4-dihydro-7,9-dimethyl- 3-(4-heptylphenyl)-7,9-dimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
Wiley ID	1658071