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CAS 1020719-72-5

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2-Amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl-3,3,4,4-d4]-6H-purin-6-one

Description:
2-Amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl-3,3,4,4-d4]-6H-purin-6-one, with CAS number 1020719-72-5, is a modified purine derivative characterized by the presence of an amino group and a hydroxymethyl-substituted butyl chain. This compound features a purine core, which is a bicyclic structure composed of fused imidazole and pyrimidine rings, contributing to its biological relevance, particularly in nucleic acid chemistry. The presence of deuterium atoms in the butyl chain indicates that it is a deuterated compound, which can be useful in studies involving isotopic labeling for tracing and metabolic studies. The hydroxyl groups enhance its solubility and reactivity, potentially influencing its interactions in biological systems. This compound may exhibit properties relevant to pharmacology and biochemistry, particularly in the context of nucleoside analogs or as a research tool in studying metabolic pathways. Its unique structure and isotopic labeling make it a valuable compound for various scientific applications, including drug development and biochemical research.
Formula:C10H11D4N5O3
InChI:InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)2-1-6(3-16)4-17/h5-6,16-17H,1-4H2,(H3,11,13,14,18)/i1D2,2D2
InChI key:InChIKey=JNTOCHDNEULJHD-LNLMKGTHSA-N
SMILES:C(C(C(CO)CO)([2H])[2H])(N1C2=C(N=C1)C(=O)N=C(N)N2)([2H])[2H]
Synonyms:
  • 2-Amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl-3,3,4,4-d4]-6H-purin-6-one
  • 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)butyl-3,3,4,4-d4]-
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