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Substance Name: CI 972
RN: 115787-68-3
InChIKey: SLNICZJKQXPOJA-UHFFFAOYSA-N

Molecular Formula

  • C11-H11-N5-O-S.Cl-H

Molecular Weight

  • 297.7688
 
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Names and Synonyms

Name of Substance

  • CI 972

Synonyms

  • 2,6-Diamino-3,5-dihydro-7-(3-thienylmethyl)-4H-pyrrolo(3,2-d)pyrimidin-4-one
  • CI-972

Systematic Name

  • 4H-Pyrrolo(3,2-d)pyrimidin-4-one, 2,6-diamino-1,5-dihydro-7-(3-thienylmethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 115787-68-3

System Generated Number

  • 0115787683

Molecular Formulas

Molecular Formula

  • C11-H11-N5-O-S.Cl-H

Molecular Formula Fragments

  • C11-H11-N5-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C11H11N5OS.ClH/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7;/h1-2,4,14H,3,12H2,(H3,13,15,16,17);1H

InChIKey

SLNICZJKQXPOJA-UHFFFAOYSA-N

Smiles

Cl.NC1=NC(=O)c2[nH]c(N)c(Cc3ccsc3)c2N1