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ACETIC ACID, 4-ACETOXY-2-(2-ACETYLSULFANYL-ETHYL)-5-(7-BENZOYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3-YLMETHYL EST
SpectraBase Compound ID F4bzusho6Yq
InChI InChI=1S/C25H27N5O7S/c1-13(31)35-11-17-18(9-10-38-15(3)33)37-23(22(17)36-14(2)32)20-19-21(30-29-20)24(27-12-26-19)28-25(34)16-7-5-4-6-8-16/h4-8,12,17-18,20,22-23H,9-11H2,1-3H3,(H,26,27,28,34)
InChIKey KZTPDIHXIQPSOP-UHFFFAOYSA-N
Mol Weight 541.58 g/mol
Molecular Formula C25H27N5O7S
Exact Mass 541.163119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlGvBtFv7VG
Name ACETIC ACID, 4-ACETOXY-2-(2-ACETYLSULFANYL-ETHYL)-5-(7-BENZOYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3-YLMETHYL EST
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H27N5O7S
InChI InChI=1S/C25H27N5O7S/c1-13(31)35-11-17-18(9-10-38-15(3)33)37-23(22(17)36-14(2)32)20-19-21(30-29-20)24(27-12-26-19)28-25(34)16-7-5-4-6-8-16/h4-8,12,17-18,20,22-23H,9-11H2,1-3H3,(H,26,27,28,34)
InChIKey KZTPDIHXIQPSOP-UHFFFAOYSA-N
Molecular Weight 541.1625
SMILES N(C(=O)c1ccccc1)c1c2c(ncn1)C(N=N2)C1OC(CCSC(=O)C)C(COC(=O)C)C1OC(=O)C
SPLASH splash10-0006-9420000000-d41daed640d323f1c3bb
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany