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.beta.-DL-threo-Pentopyranoside, methyl 3,4-dideoxy-3-[6-methyl-4-[(phenylmethyl)amino]-7H-pyrrolo[2,3-d]pyri midin-7-yl]-
SpectraBase Compound ID 75LoFMuKg4s
InChI InChI=1S/C20H24N4O3/c1-13-8-16-18(21-10-14-6-4-3-5-7-14)22-12-23-19(16)24(13)17-9-15(25)11-27-20(17)26-2/h3-8,12,15,17,20,25H,9-11H2,1-2H3,(H,21,22,23)/t15?,17-,20+/m1/s1
InChIKey SZZMDPUYGSQPOE-DFWLKAPTSA-N
Mol Weight 368.44 g/mol
Molecular Formula C20H24N4O3
Exact Mass 368.184841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSJzqD4Cre8
Name .beta.-DL-threo-Pentopyranoside, methyl 3,4-dideoxy-3-[6-methyl-4-[(phenylmethyl)amino]-7H-pyrrolo[2,3-d]pyri midin-7-yl]-
Alternate Name(s) 3,4'-Didesoxy-1'-O-methyl-7-(.beta.-D,l-threo-3'-pentopyranosyl)-4-4-(benzylamino)-6-methyl-7-(2'-methoxy-3'-hydroxy-1'-oxa)cyclohexyl-6-methylpyrrolo[2,3-d]pyrimidine (isomer a) 3,4'-Didesoxy-1'-O-methyl-7-(.beta.-D,l-threo-3'-pentopyranosyl)-4-4-(benzylamino)-6-methyl-7-(2'-methoxy-3'-hydroxy-1'-oxa)cyclohexyl-6-methylpyrrolo[2,3-d]pyrimidine (isomer b) 4-Benzylamino-6-methyl-7-(2'-methoxy-3'-hydroxy-1'-oxa)cyclohexyl pyrrolo[2,3-a]pyrimidine 7H-pyrrolo[2,3-d]pyrimidine, .beta.-DL-threo-pentopyranoside deriv. methyl 2-[4-(benzylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-2,3-dideoxy-.alpha.-D-glycero-pentopyranoside
CAS Registry Number 88095-13-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N4O3
InChI InChI=1S/C20H24N4O3/c1-13-8-16-18(21-10-14-6-4-3-5-7-14)22-12-23-19(16)24(13)17-9-15(25)11-27-20(17)26-2/h3-8,12,15,17,20,25H,9-11H2,1-2H3,(H,21,22,23)/t15?,17-,20+/m1/s1
InChIKey SZZMDPUYGSQPOE-DFWLKAPTSA-N
Molecular Weight 368.437 g/mol
SMILES N(c1c2c([n]([C@]3([C@](OCC(C3)O)(OC)[H])[H])c(c2)C)ncn1)Cc1ccccc1
SPLASH splash10-000i-0092000000-06ec96692c1236ed6c81
Source of Spectrum Y-20-927-0
Wiley ID 1353005