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2-Amino-6-cyano-9-(2,3,5-tri-O-acetyl-.beta.,D-ribofuranosyl)purine
SpectraBase Compound ID L8VHisDsoqc
InChI InChI=1S/C17H18N6O7/c1-7(24)27-5-11-13(28-8(2)25)14(29-9(3)26)16(30-11)23-6-20-12-10(4-18)21-17(19)22-15(12)23/h6,11,13-14,16H,5H2,1-3H3,(H2,19,21,22)/t11-,13-,14-,16-/m1/s1
InChIKey MCZRNJYUWRWVCK-XKVFNRALSA-N
Mol Weight 418.37 g/mol
Molecular Formula C17H18N6O7
Exact Mass 418.123697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtmmPKS8IoJ
Name 2-Amino-6-cyano-9-(2,3,5-tri-O-acetyl-.beta.,D-ribofuranosyl)purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N6O7
InChI InChI=1S/C17H18N6O7/c1-7(24)27-5-11-13(28-8(2)25)14(29-9(3)26)16(30-11)23-6-20-12-10(4-18)21-17(19)22-15(12)23/h6,11,13-14,16H,5H2,1-3H3,(H2,19,21,22)/t11-,13-,14-,16-/m1/s1
InChIKey MCZRNJYUWRWVCK-XKVFNRALSA-N
Molecular Weight 418.366 g/mol
SMILES Nc1nc2[n]([C@]3([C@@]([C@](OC(=O)C)([C@](O3)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H])cnc2c(C#N)n1
SPLASH splash10-0006-9330000000-9360e34557bdffb86db5
Source of Spectrum SO-0-962-2
Synonyms [(2R,3R,4R,5R)-3,4-bis(acetyloxy)-5-(2-amino-6-cyano-9H-purin-9-yl)oxolan-2-yl]methyl acetate
Wiley ID 1541094