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8-amino-3-(phenylmethyl)-[1,3,5]triazino[1,2-a]purin-10-one
SpectraBase Compound ID 25DBf0pLEti
InChI InChI=1S/C14H11N7O/c15-13-16-7-17-14-19-11-10(12(22)21(13)14)18-8-20(11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,15,16,17,19)
InChIKey QARNXAVFEYJXMM-UHFFFAOYSA-N
Mol Weight 293.29 g/mol
Molecular Formula C14H11N7O
Exact Mass 293.102508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jb2ZIil20sX
Name 8-amino-3-(phenylmethyl)-[1,3,5]triazino[1,2-a]purin-10-one
CAS Registry Number 96412-44-1
Comments Less than 3 mono-isotopic peaks
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Formula C14H11N7O
InChI InChI=1S/C14H11N7O/c15-13-16-7-17-14-19-11-10(12(22)21(13)14)18-8-20(11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,15,16,17,19)
InChIKey QARNXAVFEYJXMM-UHFFFAOYSA-N
Molecular Weight 293.290 g/mol
SMILES NC=1N2C(=Nc3c(nc[n]3Cc3ccccc3)C2=O)N=CN1
SPLASH splash10-0006-9070000000-514a8395899a17746671
Source of Spectrum J-50-2473-14
Synonyms 8-amino-3-benzyl-[1,3,5]triazino[1,2-a]purin-10-one 8-azanyl-3-(phenylmethyl)-[1,3,5]triazino[1,2-a]purin-10-one
Wiley ID 1296190