1,9-Dihydro-2-[[(4-nitrophenyl)methyl]thio]-6H-purin-6-one

CAS Registry Number®

15870-56-1

CAS Name

1,9-Dihydro-2-[[(4-nitrophenyl)methyl]thio]-6H-purin-6-one

Molecular Formula

C12H9N5O3S

Molecular Mass

303.30

Cite this Page

1,9-Dihydro-2-[[(4-nitrophenyl)methyl]thio]-6H-purin-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15870-56-1 (retrieved 2024-10-07) (CAS RN: 15870-56-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H9N5O3S/c18-11-9-10(14-6-13-9)15-12(16-11)21-5-7-1-3-8(4-2-7)17(19)20/h1-4,6H,5H2,(H2,13,14,15,16,18)

InChIKey

InChIKey=WHKVCAGKGQNACH-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(SCC3=CC=C(N(=O)=O)C=C3)=N1)N=CN2

Canonical SMILES

O=C1N=C(SCC2=CC=C(C=C2)N(=O)=O)NC=3N=CNC13

Other Names for this Substance

  • 6H-Purin-6-one, 1,9-dihydro-2-[[(4-nitrophenyl)methyl]thio]-
  • Hypoxanthine, 2-[(p-nitrobenzyl)thio]-
  • 1,9-Dihydro-2-[[(4-nitrophenyl)methyl]thio]-6H-purin-6-one
  • 2-[(4-Nitrophenyl)methylsulfanyl]-3,7-dihydropurin-6-one
  • 2-(4-Nitro-benzylsulfanyl)-9H-purin-6-ol

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