1,1′-[2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-1,3-propanediyl] diacetate

CAS Registry Number®

97845-60-8

CAS Name

1,1′-[2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-1,3-propanediyl] diacetate

Molecular Formula

C14H18ClN5O4

Molecular Mass

355.78

Cite this Page

1,1′-[2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-1,3-propanediyl] diacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97845-60-8 (retrieved 2024-11-25) (CAS RN: 97845-60-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132-134 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H18ClN5O4/c1-8(21)23-5-10(6-24-9(2)22)3-4-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,10H,3-6H2,1-2H3,(H2,16,18,19)

InChIKey

InChIKey=KXPSHSVVYGZKAV-UHFFFAOYSA-N

SMILES

C(CC(COC(C)=O)COC(C)=O)N1C=2C(N=C1)=C(Cl)N=C(N)N2

Canonical SMILES

O=C(OCC(COC(=O)C)CCN1C=NC=2C(Cl)=NC(=NC21)N)C

Other Names for this Substance

  • 1,3-Propanediol, 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-, 1,3-diacetate
  • 1,3-Propanediol, 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-, diacetate (ester)
  • 1,1′-[2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-1,3-propanediyl] diacetate
  • 9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine
  • 2-Amino-6-chloro-9-(4-acetoxy-3-acetoxymethylbutyl)purine

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