2-Chloro-1,7-dihydro-7-(phenylmethyl)-6H-purin-6-one

CAS Registry Number®

56025-88-8
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CAS Name

2-Chloro-1,7-dihydro-7-(phenylmethyl)-6H-purin-6-one

Molecular Formula

C12H9ClN4O

Molecular Mass

260.68

Cite this Page

2-Chloro-1,7-dihydro-7-(phenylmethyl)-6H-purin-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56025-88-8 (retrieved 2024-09-07) (CAS RN: 56025-88-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    285 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H9ClN4O/c13-12-15-10-9(11(18)16-12)17(7-14-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16,18)

InChIKey

InChIKey=WBBIEQUZXWSKAE-UHFFFAOYSA-N

SMILES

C(N1C2=C(N=C1)NC(Cl)=NC2=O)C3=CC=CC=C3

Canonical SMILES

O=C1N=C(Cl)NC=2N=CN(C12)CC=3C=CC=CC3

Other Names for this Substance

  • 6H-Purin-6-one, 2-chloro-1,7-dihydro-7-(phenylmethyl)-
  • Hypoxanthine, 7-benzyl-2-chloro-
  • 2-Chloro-1,7-dihydro-7-(phenylmethyl)-6H-purin-6-one
  • 2-Chloro-6-hydroxy-7-benzylpurine
  • NSC 57004