2-Amino-6-(benzylthio)purine

CAS Registry Number®

1874-58-4

CAS Name

2-Amino-6-(benzylthio)purine

Molecular Formula

C12H11N5S

Molecular Mass

257.31

Cite this Page

2-Amino-6-(benzylthio)purine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1874-58-4 (retrieved 2024-12-21) (CAS RN: 1874-58-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H11N5S/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)

InChIKey

InChIKey=JQMGATKUPCKDEG-UHFFFAOYSA-N

SMILES

S(CC1=CC=CC=C1)C2=C3C(=NC(N)=N2)N=CN3

Canonical SMILES

N1=CNC2=C1N=C(N=C2SCC=3C=CC=CC3)N

Other Names for this Substance

  • 9H-Purin-2-amine, 6-[(phenylmethyl)thio]-
  • Purine, 2-amino-6-(benzylthio)-
  • 1H-Purin-2-amine, 6-[(phenylmethyl)thio]-
  • 6-[(Phenylmethyl)thio]-9H-purin-2-amine
  • 2-Amino-6-(benzylthio)purine

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