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3-Hydroxy-2-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)propanoic acid
SpectraBase Compound ID 4GbeCprz67Q
InChI InChI=1S/C14H13N5O3/c20-7-11(14(21)22)18-12-10-6-17-19(13(10)16-8-15-12)9-4-2-1-3-5-9/h1-6,8,11,20H,7H2,(H,21,22)(H,15,16,18)
InChIKey LITIGHPKYHNWKZ-UHFFFAOYSA-N
Mol Weight 299.29 g/mol
Molecular Formula C14H13N5O3
Exact Mass 299.101839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpInIrk8URn
Name 3-Hydroxy-2-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)propanoic acid
Alternate Name(s) 3-Hydroxy-2-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13N5O3
InChI InChI=1S/C14H13N5O3/c20-7-11(14(21)22)18-12-10-6-17-19(13(10)16-8-15-12)9-4-2-1-3-5-9/h1-6,8,11,20H,7H2,(H,21,22)(H,15,16,18)
InChIKey LITIGHPKYHNWKZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.10212
Molecular Weight 299.290 g/mol
SMILES N(c1c2cn[n](c2ncn1)-c1ccccc1)C(C(O)=O)CO
SPLASH splash10-0hkj-8790000000-224a52031264acd6099a
Source of Spectrum HAC-15-58-3c
Wiley ID 1775972