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Substance Name: 1-(3,5-Di-O-acetyl-2-deoxy-beta-D-erythro-pentofuranosyl)-(E)-5-(2-bromovinyl)-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one
RN: 111160-27-1
InChIKey: SHGVXGBVWIRZNM-HDESWBJQSA-N

Molecular Formula

  • C17-H18-Br-N5-O6

Molecular Weight

  • 468.2622
 
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Names and Synonyms

  • 1-(3,5-Di-O-acetyl-2-deoxy-beta-D-erythro-pentofuranosyl)-(E)-5-(2-bromovinyl)-4-(1,2,4-triazol-1-yl)pyrimidin-2(1H)-one

Registry Numbers

CAS Registry Number

  • 111160-27-1

System Generated Number

  • 0111160271

Structure Descriptors

InChI

1S/C17H18BrN5O6/c1-10(24)27-7-14-13(28-11(2)25)5-15(29-14)22-6-12(3-4-18)16(21-17(22)26)23-9-19-8-20-23/h3-4,6,8-9,13-15H,5,7H2,1-2H3/b4-3+/t13-,14+,15+/m0/s1

InChIKey

SHGVXGBVWIRZNM-HDESWBJQSA-N

Smiles

CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2cc(c(nc2=O)n3cncn3)/C=C/Br)OC(=O)C