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Substance Name: CI-972
RN: 163217-78-5
UNII: K77F6U8ZBV
InChIKey: VBKYPHWLFBRNLQ-UHFFFAOYSA-N

Molecular Formula

  • C11-H11-N5-O-S.Cl-H.H2-O

Molecular Weight

  • 315.7792
 
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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 hydrochloride monohydrate
  • 4H-Pyrrolo(3,2-d)pyrimidin-4-one, 2,6-diamino-3,5-dihydro-7-(3-thienylmethyl)-, hydrochloride, hydrate (1:1:1)
  • CI-972
  • UNII-K77F6U8ZBV

Registry Numbers

CAS Registry Number

  • 163217-78-5

FDA UNII

  • K77F6U8ZBV

System Generated Number

  • 0163217785

Structure Descriptors

InChI

1S/C11H11N5OS.ClH.H2O/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;1H2

InChIKey

VBKYPHWLFBRNLQ-UHFFFAOYSA-N

Smiles

O.Cl.NC1=Nc2c(Cc3ccsc3)c(N)[nH]c2C(=O)N1