2-Thioxo-7-deazahypoxanthine

CAS Registry Number®

67831-84-9

CAS Name

2-Thioxo-7-deazahypoxanthine

Molecular Formula

C6H5N3OS

Molecular Mass

167.19

Cite this Page

2-Thioxo-7-deazahypoxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67831-84-9 (retrieved 2024-11-24) (CAS RN: 67831-84-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C6H5N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)

InChIKey

InChIKey=QCZHCRBHXAFBDJ-UHFFFAOYSA-N

SMILES

O=C1C2=C(NC(=S)N1)NC=C2

Canonical SMILES

O=C1NC(=S)NC=2NC=CC12

Other Names for this Substance

  • 4H-Pyrrolo[2,3-d]pyrimidin-4-one, 1,2,3,7-tetrahydro-2-thioxo-
  • 7H-Pyrrolo[2,3-d]pyrimidin-4-ol, 2-mercapto-
  • 1,2,3,7-Tetrahydro-2-thioxo-4H-pyrrolo[2,3-d]pyrimidin-4-one
  • 2-Thioxo-7-deazahypoxanthine
  • NSC 25976

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