2-Hexynyl-5′-N-ethylcarboxamidoadenosine

CAS Registry Number®

141018-30-6

CAS Name

2-Hexynyl-5′-N-ethylcarboxamidoadenosine

Molecular Formula

C18H24N6O4

Molecular Mass

388.42

Cite this Page

2-Hexynyl-5′-N-ethylcarboxamidoadenosine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=141018-30-6 (retrieved 2024-11-24) (CAS RN: 141018-30-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    145-146 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1

InChIKey

InChIKey=FDEACFAXFCKCHZ-MOROJQBDSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=C(C#CCCCC)N3)O[C@H](C(NCC)=O)[C@H]1O

Canonical SMILES

O=C(NCC)C1OC(N2C=NC=3C(=NC(C#CCCCC)=NC32)N)C(O)C1O

Other Names for this Substance

  • β-D-Ribofuranuronamide, 1-[6-amino-2-(1-hexyn-1-yl)-9H-purin-9-yl]-1-deoxy-N-ethyl-
  • β-D-Ribofuranuronamide, 1-[6-amino-2-(1-hexynyl)-9H-purin-9-yl]-1-deoxy-N-ethyl-
  • 1-[6-Amino-2-(1-hexyn-1-yl)-9H-purin-9-yl]-1-deoxy-N-ethyl-β-D-ribofuranuronamide
  • 2-Hexynyl-NECA
  • 2-(1-Hexynyl)-5′-N-ethylcarboxamidoadenosine

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