1-(6-Amino-9-β-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid

CAS Registry Number®

313348-29-7
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CAS Name

1-(6-Amino-9-β-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid

Molecular Formula

C14H15N7O6

Molecular Mass

377.31

Cite this Page

1-(6-Amino-9-β-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=313348-29-7 (retrieved 2024-08-19) (CAS RN: 313348-29-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H15N7O6/c15-10-7-11(19-14(18-10)21-2-5(1-17-21)13(25)26)20(4-16-7)12-9(24)8(23)6(3-22)27-12/h1-2,4,6,8-9,12,22-24H,3H2,(H,25,26)(H2,15,18,19)/t6-,8-,9-,12-/m1/s1

InChIKey

InChIKey=NLDXPPQYALPBFB-WOUKDFQISA-N

SMILES

NC1=C2C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=NC(=N1)N4C=C(C(O)=O)C=N4

Canonical SMILES

O=C(O)C=1C=NN(C1)C=2N=C(N)C=3N=CN(C3N2)C4OC(CO)C(O)C4O

Other Names for this Substance

  • 1H-Pyrazole-4-carboxylic acid, 1-(6-amino-9-β-D-ribofuranosyl-9H-purin-2-yl)-
  • 1-(6-Amino-9-β-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylic acid