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2-Amino-7-benzyl-6-chloro-7H-purine
SpectraBase Compound ID JXVe4fzssow
InChI InChI=1S/C12H10ClN5/c13-10-9-11(17-12(14)16-10)15-7-18(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,16,17)
InChIKey WQXLOVBFHHKNOZ-UHFFFAOYSA-N
Mol Weight 259.7 g/mol
Molecular Formula C12H10ClN5
Exact Mass 259.062473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMdj46XNN0h
Name 2-Amino-7-benzyl-6-chloro-7H-purine
Comments Less than 3 mono-isotopic peaks
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Formula C12H10ClN5
InChI InChI=1S/C12H10ClN5/c13-10-9-11(17-12(14)16-10)15-7-18(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,16,17)
InChIKey WQXLOVBFHHKNOZ-UHFFFAOYSA-N
Molecular Weight 259.700 g/mol
SMILES Nc1nc(c2[n](Cc3ccccc3)cnc2n1)Cl
SPLASH splash10-0006-9050000000-1edb68f274e437b974b5
Source of Spectrum F-52-5634-6
Synonyms (7-benzyl-6-chloro-purin-2-yl)amine 6-chloranyl-7-(phenylmethyl)purin-2-amine 6-chloro-7-(phenylmethyl)-2-purinamine 7-benzyl-6-chloro-purin-2-amine
Wiley ID 796276