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Substance Name: Benzoic acid, 2-(2-(4-amino-2-(cyanoamino)-1,6-dihydro-6-oxo-5-pyrimidinyl)diazenyl)-, methyl ester
RN: 55994-71-3
InChIKey: OIIPVSXBRNJQID-FMQUCBEESA-N

Molecular Formula

  • C13-H11-N7-O3

Molecular Weight

  • 313.276
 
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Names and Synonyms

  • Benzoic acid, 2-((6-amino-2-(cyanoamino)-1,4-dihydro-4-oxo-5-pyrimidinyl)azo)-, methyl ester
  • Benzoic acid, 2-(2-(4-amino-2-(cyanoamino)-1,6-dihydro-6-oxo-5-pyrimidinyl)diazenyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 55994-71-3

System Generated Number

  • 0055994713

Structure Descriptors

InChI

1S/C13H11N7O3/c1-23-12(22)7-4-2-3-5-8(7)19-20-9-10(15)17-13(16-6-14)18-11(9)21/h2-5H,1H3,(H4,15,16,17,18,21)/b20-19+

InChIKey

OIIPVSXBRNJQID-FMQUCBEESA-N

Smiles

O=C(OC)c1c(\N=N\c2c(nc(nc2O)NC#N)N)cccc1