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N-Benzyl-9-[(2R,4R)-4-acetoxy-N-(methoxycarbonyl)-2-pyrrolidinyl]adenine
SpectraBase Compound ID 1io3nsHxTUp
InChI InChI=1S/C20H22N6O4/c1-13(27)30-15-8-16(25(10-15)20(28)29-2)26-12-24-17-18(22-11-23-19(17)26)21-9-14-6-4-3-5-7-14/h3-7,11-12,15-16H,8-10H2,1-2H3,(H,21,22,23)/t15-,16+/m1/s1
InChIKey GSEBJUJSDFBLGP-CVEARBPZSA-N
Mol Weight 410.43 g/mol
Molecular Formula C20H22N6O4
Exact Mass 410.170253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeLxvWjjbq7
Name N-Benzyl-9-[(2R,4R)-4-acetoxy-N-(methoxycarbonyl)-2-pyrrolidinyl]adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N6O4
InChI InChI=1S/C20H22N6O4/c1-13(27)30-15-8-16(25(10-15)20(28)29-2)26-12-24-17-18(22-11-23-19(17)26)21-9-14-6-4-3-5-7-14/h3-7,11-12,15-16H,8-10H2,1-2H3,(H,21,22,23)/t15-,16+/m1/s1
InChIKey GSEBJUJSDFBLGP-CVEARBPZSA-N
Molecular Weight 410.434 g/mol
SMILES N(c1c2c([n]([C@@]3(N(C(=O)OC)C[C@@](C3)(OC(=O)C)[H])[H])cn2)ncn1)Cc1ccccc1
SPLASH splash10-056r-3590000000-bb42f7f10fa5b4c6cc04
Source of Spectrum U1-2010-3855-38
Synonyms (2R,4R)-4-acetyloxy-2-[6-[(phenylmethyl)amino]-9-purinyl]-1-pyrrolidinecarboxylic acid methyl ester Methyl (2R,4R)-4-acetyloxy-2-[6-(benzylamino)purin-9-yl]pyrrolidine-1-carboxylate Methyl (2R,4R)-4-acetoxy-2-[6-(benzylamino)purin-9-yl]pyrrolidine-1-carboxylate Methyl (2R,4R)-4-acetyloxy-2-[6-[(phenylmethyl)amino]purin-9-yl]pyrrolidine-1-carboxylate
Wiley ID 1664007