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Substance Name: (S)-4-Amino-6-bromo-7-((3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7,7a-dihydro-4aH-pyrrolo(2,3-d)pyrimidine-5-carbonitrile
RN: 20201-55-2
InChIKey: VGLVPHRWFSFJJL-JTFADIMSSA-N

Molecular Formula

  • C12-H12-Br-N5-O4

Molecular Weight

  • 370.1618
 
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Names and Synonyms

Synonyms

  • 6-Bromotoyocamycin
  • NSC 113951

Systematic Name

  • (S)-4-Amino-6-bromo-7-((3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7,7a-dihydro-4aH-pyrrolo(2,3-d)pyrimidine-5-carbonitrile

Registry Numbers

CAS Registry Number

  • 20201-55-2

System Generated Number

  • 0020201552

Structure Descriptors

InChI

1S/C12H12BrN5O4/c13-9-4(1-14)6-10(15)16-3-17-11(6)18(9)12-8(21)7(20)5(2-19)22-12/h3,5,7-8,12,19-21H,2H2,(H2,15,16,17)/t5-,7-,8-,12-/m1/s1

InChIKey

VGLVPHRWFSFJJL-JTFADIMSSA-N

Smiles

c1nc(c2c(c(n(c2n1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Br)C#N)N