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9-Benzyl-6-[3'-cyano-3'-methoxycarbonylpropyl]-9H-purine
SpectraBase Compound ID 9G3vL9ZjFGY
InChI InChI=1S/C18H17N5O2/c1-25-18(24)14(9-19)7-8-15-16-17(21-11-20-15)23(12-22-16)10-13-5-3-2-4-6-13/h2-6,11-12,14H,7-8,10H2,1H3
InChIKey IRAWCVTZKJKZNZ-UHFFFAOYSA-N
Mol Weight 335.37 g/mol
Molecular Formula C18H17N5O2
Exact Mass 335.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgL4Yao7xbQ
Name 9-Benzyl-6-[3'-cyano-3'-methoxycarbonylpropyl]-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N5O2
InChI InChI=1S/C18H17N5O2/c1-25-18(24)14(9-19)7-8-15-16-17(21-11-20-15)23(12-22-16)10-13-5-3-2-4-6-13/h2-6,11-12,14H,7-8,10H2,1H3
InChIKey IRAWCVTZKJKZNZ-UHFFFAOYSA-N
Molecular Weight 335.367 g/mol
SMILES c12[n](cnc2c(CCC(C(=O)OC)C#N)ncn1)Cc1ccccc1
SPLASH splash10-00dl-6091000000-b284ad5b5bc1a1547917
Source of Spectrum SB-51-1122-10
Synonyms Methyl 4-(9-benzyl-9H-purin-6-yl)-2-cyanobutanoate
Wiley ID 1331654