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4-(4-amino-6-methyl-7-pyrrolo[2,3-d]pyrimidinyl)-2-methoxy-3-oxanol
SpectraBase Compound ID E7zrjdfM0GY
InChI InChI=1S/C13H18N4O3/c1-7-5-8-11(14)15-6-16-12(8)17(7)9-3-4-20-13(19-2)10(9)18/h5-6,9-10,13,18H,3-4H2,1-2H3,(H2,14,15,16)/t9-,10+,13-/m1/s1
InChIKey QQNOXGJKYUANJP-GBIKHYSHSA-N
Mol Weight 278.31 g/mol
Molecular Formula C13H18N4O3
Exact Mass 278.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bCC3BXL3Hi
Name 4-(4-amino-6-methyl-7-pyrrolo[2,3-d]pyrimidinyl)-2-methoxy-3-oxanol
CAS Registry Number 88095-16-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N4O3
InChI InChI=1S/C13H18N4O3/c1-7-5-8-11(14)15-6-16-12(8)17(7)9-3-4-20-13(19-2)10(9)18/h5-6,9-10,13,18H,3-4H2,1-2H3,(H2,14,15,16)/t9-,10+,13-/m1/s1
InChIKey QQNOXGJKYUANJP-GBIKHYSHSA-N
Molecular Weight 278.312 g/mol
SMILES Nc1c2c([n]([C@]3([C@@]([C@@](OCC3)(OC)[H])(O)[H])[H])c(c2)C)ncn1
SPLASH splash10-0002-0900000000-15ab7c0b1c12be57e722
Source of Spectrum Y-20-927-3
Synonyms 4-(4-amino-6-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxy-tetrahydropyran-3-ol 4-(4-amino-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxyoxan-3-ol 4-(4-azanyl-6-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)-2-methoxy-oxan-3-ol methyl 3-(4-amino-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dideoxypentopyranoside
Wiley ID 1281669