1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate

CAS Registry Number®

172529-93-0

CAS Name

1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate

Molecular Formula

C12H14ClN5O4

Molecular Mass

327.72

Cite this Page

1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=172529-93-0 (retrieved 2024-10-05) (CAS RN: 172529-93-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    140.6-142.9 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14ClN5O4/c1-21-10(19)6(11(20)22-2)3-4-18-5-15-7-8(13)16-12(14)17-9(7)18/h5-6H,3-4H2,1-2H3,(H2,14,16,17)

InChIKey

InChIKey=SALNWJHEVGXTER-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C(C(=O)OC)CCN1C=NC=2C(Cl)=NC(=NC21)N

Other Names for this Substance

  • Propanedioic acid, 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-, 1,3-dimethyl ester
  • Propanedioic acid, [2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-, dimethyl ester
  • 1,3-Dimethyl 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
  • Dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]malonate

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