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2-Amino-6-chloro-9-(3-deoxy-3-methylene-.beta.,D-erythro-pentofuranosyl)purine
SpectraBase Compound ID BMvpl6lwT9T
InChI InChI=1S/C11H12ClN5O3/c1-4-5(2-18)20-10(7(4)19)17-3-14-6-8(12)15-11(13)16-9(6)17/h3,5,7,10,18-19H,1-2H2,(H2,13,15,16)/t5-,7-,10-/m1/s1
InChIKey VBSRONBLDFNMOO-VISXPRAWSA-N
Mol Weight 297.7 g/mol
Molecular Formula C11H12ClN5O3
Exact Mass 297.062867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmXwHzh6kZI
Name 2-Amino-6-chloro-9-(3-deoxy-3-methylene-.beta.,D-erythro-pentofuranosyl)purine
CAS Registry Number 141320-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12ClN5O3
InChI InChI=1S/C11H12ClN5O3/c1-4-5(2-18)20-10(7(4)19)17-3-14-6-8(12)15-11(13)16-9(6)17/h3,5,7,10,18-19H,1-2H2,(H2,13,15,16)/t5-,7-,10-/m1/s1
InChIKey VBSRONBLDFNMOO-VISXPRAWSA-N
Molecular Weight 297.702 g/mol
SMILES Nc1nc(c2c([n]([C@@]3(O[C@@](C([C@]3(O)[H])=C)(CO)[H])[H])cn2)n1)Cl
SPLASH splash10-014i-0920000000-566c6f2810e55afe6434
Source of Spectrum E1-35-2291-28
Synonyms (2R,5S)-2-(2-amino-6-chloro-9-purinyl)-5-(hydroxymethyl)-4-methylene-3-oxolanol (2R,5S)-2-(2-amino-6-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol (2R,5S)-2-(2-amino-6-chloro-purin-9-yl)-4-methylene-5-methylol-tetrahydrofuran-3-ol (2R,5S)-2-(2-amino-6-chloro-purin-9-yl)-5-(hydroxymethyl)-4-methylene-tetrahydrofuran-3-ol (2R,5S)-2-(2-amino-6-chloropurin-9-yl)-5-(hydroxymethyl)-4-methylideneoxolan-3-ol (2R,5S)-2-(2-azanyl-6-chloranyl-purin-9-yl)-5-(hydroxymethyl)-4-methylidene-oxolan-3-ol
Wiley ID 1574314