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(S)-c-4-[6'-(Benzoylamino)-9' H-purin-9'-yl]-t-2-[(hydroxyoxy)methyl]cyclopentane-1-ethyl thioacetate

View entire compound with spectra: 1 MS (GC)

(S)-c-4-[6'-(Benzoylamino)-9' H-purin-9'-yl]-t-2-[(hydroxyoxy)methyl]cyclopentane-1-ethyl thioacetate
SpectraBase Compound ID 5H9prCEWF5N
InChI InChI=1S/C22H25N5O3S/c1-2-30-18(31)10-15-8-17(9-16(15)11-28)27-13-25-19-20(23-12-24-21(19)27)26-22(29)14-6-4-3-5-7-14/h3-7,12-13,15-17,28H,2,8-11H2,1H3,(H,23,24,26,29)/t15-,16-,17-/m1/s1
InChIKey JOUAGDVMUREKQZ-BRWVUGGUSA-N
Mol Weight 439.53 g/mol
Molecular Formula C22H25N5O3S
Exact Mass 439.167811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JJ9BjjHfTW
Name (S)-c-4-[6'-(Benzoylamino)-9' H-purin-9'-yl]-t-2-[(hydroxyoxy)methyl]cyclopentane-1-ethyl thioacetate
Alternate Name(s) O-ethyl[(1R,2S,4R)-4-[6-(benzoylamino)-9H-purin-9-yl]-2-(hydroxymethyl)cyclopentyl]ethanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N5O3S
InChI InChI=1S/C22H25N5O3S/c1-2-30-18(31)10-15-8-17(9-16(15)11-28)27-13-25-19-20(23-12-24-21(19)27)26-22(29)14-6-4-3-5-7-14/h3-7,12-13,15-17,28H,2,8-11H2,1H3,(H,23,24,26,29)/t15-,16-,17-/m1/s1
InChIKey JOUAGDVMUREKQZ-BRWVUGGUSA-N
Molecular Weight 439.534 g/mol
SMILES N(c1c2c([n]([C@]3(C[C@](CO)([C@](C3)(CC(=S)OCC)[H])[H])[H])cn2)ncn1)C(=O)c1ccccc1
SPLASH splash10-000l-9863000000-42f786012154c6529699
Source of Spectrum H-76-256-21
Wiley ID 1384402