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Substance Name: Mycalisine B
RN: 98890-72-3
InChIKey: ICXWUWMRRVXBIT-GIPNMCIBSA-N

Molecular Formula

  • C13-H12-N4-O4

Molecular Weight

  • 288.262
 
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Names and Synonyms

Results Name

  • Mycalisine B

Synonym

  • Mycalisine B

Systematic Name

  • 1H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 7-(5-deoxy-3-O-methyl-beta-D-erythro-pent-4-enofuranosyl)-4,7-dihydro-4-oxo-

Registry Numbers

CAS Registry Number

  • 98890-72-3

System Generated Number

  • 0098890723

Structure Descriptors

InChI

1S/C13H12N4O4/c1-6-10(20-2)9(18)13(21-6)17-4-7(3-14)8-11(17)15-5-16-12(8)19/h4-5,9-10,13,18H,1H2,2H3,(H,15,16,19)/t9-,10-,13-/m1/s1

InChIKey

ICXWUWMRRVXBIT-GIPNMCIBSA-N

Smiles

O[C@@H]1[C@@H](C(O[C@H]1n1c2c(c(c1)C#N)c(nc[nH]2)=O)=C)OC