3-Deazaneplanocin

CAS Registry Number®

102052-95-9

CAS Name

3-Deazaneplanocin

Molecular Formula

C12H14N4O3

Molecular Mass

262.26

Cite this Page

3-Deazaneplanocin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=102052-95-9 (retrieved 2024-11-22) (CAS RN: 102052-95-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H14N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-3,5,8,10-11,17-19H,4H2,(H2,13,14)/t8-,10-,11+/m1/s1

InChIKey

InChIKey=OMKHWTRUYNAGFG-IEBDPFPHSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CC3)C=C(CO)[C@H]1O

Canonical SMILES

OCC1=CC(N2C=NC=3C(=NC=CC32)N)C(O)C1O

Other Names for this Substance

  • 3-Cyclopentene-1,2-diol, 5-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-
  • 3-Cyclopentene-1,2-diol, 5-(4-amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)-, [1S-(1α,2α,5β)]-
  • 1H-Imidazo[4,5-c]pyridine, 3-cyclopentene-1,2-diol deriv.
  • (1S,2R,5R)-5-(4-Amino-1H-imidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)-3-cyclopentene-1,2-diol
  • 3-Deazaneplanocin A

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