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PROPANOIC ACID, 2,2-DIMETHYL-, [2-[2-(ACETYLTHIO)ETHYL]-5-[6-(BENZOYLAMINO)-9H-PURIN-9-YL]TETRAHYDRO-3-FURANYL]METHYL ESTER, (2.ALPH
SpectraBase Compound ID 7PCkep2tsfD
InChI InChI=1S/C26H31N5O5S/c1-16(32)37-11-10-19-18(13-35-25(34)26(2,3)4)12-20(36-19)31-15-29-21-22(27-14-28-23(21)31)30-24(33)17-8-6-5-7-9-17/h5-9,14-15,18-20H,10-13H2,1-4H3,(H,27,28,30,33)
InChIKey OUWGAUMKQARMQO-UHFFFAOYSA-N
Mol Weight 525.62 g/mol
Molecular Formula C26H31N5O5S
Exact Mass 525.20459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45o81Ks6iYd
Name PROPANOIC ACID, 2,2-DIMETHYL-, [2-[2-(ACETYLTHIO)ETHYL]-5-[6-(BENZOYLAMINO)-9H-PURIN-9-YL]TETRAHYDRO-3-FURANYL]METHYL ESTER, (2.ALPH
Alternate Name(s) PROPANOIC ACID, 2,2-DIMETHYL-, [2-[2-(ACETYLTHIO)ETHYL]-5-[6-(BENZOYLAMINO)-9H-PURIN-9-YL]TETRAHYDRO-3-FURANYL]METHYL ESTER, (2alpha,3beta,5alpha)-(.+-.)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H31N5O5S
InChI InChI=1S/C26H31N5O5S/c1-16(32)37-11-10-19-18(13-35-25(34)26(2,3)4)12-20(36-19)31-15-29-21-22(27-14-28-23(21)31)30-24(33)17-8-6-5-7-9-17/h5-9,14-15,18-20H,10-13H2,1-4H3,(H,27,28,30,33)
InChIKey OUWGAUMKQARMQO-UHFFFAOYSA-N
Molecular Weight 525.2039
SMILES N(C(=O)c1ccccc1)c1c2c(ncn1)[n](cn2)C1OC(CCSC(=O)C)C(COC(C(C)(C)C)=O)C1
SPLASH splash10-0a4i-9510000000-3dda07d1dd5dfb78928d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany