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9H-Purin-2-amine, 6-chloro-9-[2-[2,2-dimethyl-5-[(phenylmethoxy)methyl]-1,3-dioxan-5-yl]ethyl]-
SpectraBase Compound ID CmDeG7ZAi6B
InChI InChI=1S/C21H26ClN5O3/c1-20(2)29-12-21(13-30-20,11-28-10-15-6-4-3-5-7-15)8-9-27-14-24-16-17(22)25-19(23)26-18(16)27/h3-7,14H,8-13H2,1-2H3,(H2,23,25,26)
InChIKey FIDIVEKJEJDRJS-UHFFFAOYSA-N
Mol Weight 431.92 g/mol
Molecular Formula C21H26ClN5O3
Exact Mass 431.172417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2b7WwdFV8OH
Name 9H-Purin-2-amine, 6-chloro-9-[2-[2,2-dimethyl-5-[(phenylmethoxy)methyl]-1,3-dioxan-5-yl]ethyl]-
Alternate Name(s) 2-Amino-9-[2-(5-benzyloxymethyl-2,2-dimethyl-1,3-dioxan-5-yl)ethyl]-6-chloropurine 9-(2-{5-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxan-5-yl}ethyl)-6-chloro-9H-purin-2-amine 9-(2-{5-[(benzyloxy)methyl]-2,2-dimethyl-1,3-dioxan-5-yl}ethyl)-6-chloro-9H-purin-2-ylamine
CAS Registry Number 119117-17-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26ClN5O3
InChI InChI=1S/C21H26ClN5O3/c1-20(2)29-12-21(13-30-20,11-28-10-15-6-4-3-5-7-15)8-9-27-14-24-16-17(22)25-19(23)26-18(16)27/h3-7,14H,8-13H2,1-2H3,(H2,23,25,26)
InChIKey FIDIVEKJEJDRJS-UHFFFAOYSA-N
Molecular Weight 431.924 g/mol
SMILES Nc1nc(c2c(n1)[n](cn2)CCC1(COC(OC1)(C)C)COCc1ccccc1)Cl
SPLASH splash10-00kf-9423500000-fe8a9fb1ca159f978db1
Source of Spectrum KC-1988-2771-9
Wiley ID 1381936