For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
.beta.-DL-threo-Pentopyranoside, methyl 3,4-dideoxy-3-[6-methyl-4-[[[(methylsulfonyl)amino]phenyl]amino]-7H-p yrrolo[2,3-d]pyrimidin-7-yl]-
SpectraBase Compound ID JT5peMGd8Ao
InChI InChI=1S/C20H25N5O5S/c1-12-10-15-18(23-13-4-6-14(7-5-13)24-31(3,27)28)21-11-22-19(15)25(12)16-8-9-30-20(29-2)17(16)26/h4-7,10-11,16-17,20,24,26H,8-9H2,1-3H3,(H,21,22,23)
InChIKey LGJYAAQJFYEWQC-UHFFFAOYSA-N
Mol Weight 447.51 g/mol
Molecular Formula C20H25N5O5S
Exact Mass 447.15764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2vlWxVNc1Lx
Name .beta.-DL-threo-Pentopyranoside, methyl 3,4-dideoxy-3-[6-methyl-4-[[[(methylsulfonyl)amino]phenyl]amino]-7H-p yrrolo[2,3-d]pyrimidin-7-yl]-
CAS Registry Number 88032-37-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25N5O5S
InChI InChI=1S/C20H25N5O5S/c1-12-10-15-18(23-13-4-6-14(7-5-13)24-31(3,27)28)21-11-22-19(15)25(12)16-8-9-30-20(29-2)17(16)26/h4-7,10-11,16-17,20,24,26H,8-9H2,1-3H3,(H,21,22,23)
InChIKey LGJYAAQJFYEWQC-UHFFFAOYSA-N
Molecular Weight 447.510 g/mol
SMILES N(c1c2c([n](C3C(C(OCC3)OC)O)c(c2)C)ncn1)c1ccc(NS(=O)(=O)C)cc1
SPLASH splash10-014j-0009600000-595ba94f1c5fbd537a92
Source of Spectrum Y-20-927-0
Synonyms 3,4'-Didesoxy-1'-O-methyl-7-(.beta.-D,l-threo-3'-pentopyranosyl)-4-4-(p-(methylsulfamido)anilino)-6-methyl-7-(2'-methoxy-3'-hydroxy-1'-oxa)cyclohexyl-6-methylpyrrolo[2,3-d]pyrimidine 7H-pyrrolo[2,3-d]pyrimidine, .beta.-DL-threo-pentopyranoside deriv. N-(4-{[7-(3-hydroxy-2-methoxyoxan-4-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}phenyl)methanesulfonamide
Wiley ID 1386891