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Substance Name: 2,3-Dihydro-2,3-(N(5)-formyl-2',5',6'-triamino-4-oxo-N(5)-pyrimidyl)-3-hydroxyaflatoxin B(1)
RN: 83953-67-7
InChIKey: FHOGQUJXZQHYJR-UHFFFAOYSA-N

Note

  • Used to modify DNA.

Molecular Weight

  • 499.4339
 
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Names and Synonyms

Name of Substance

  • 2,3-Dihydro-2,3-(N(5)-formyl-2',5',6'-triamino-4-oxo-N(5)-pyrimidyl)-3-hydroxyaflatoxin B(1)

Synonym

  • Afb1-fapyr

Systematic Name

  • Formamide, N-(2,4-diamino-1,4,5,6-tetrahydro-6-oxo-5-pyrimidinyl)-N-(1,2,3,6a,8,9,9a,11-octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl)-

Registry Numbers

CAS Registry Number

  • 83953-67-7

System Generated Number

  • 0083953677

Structure Descriptors

InChI

1S/C22H21N5O9/c1-33-8-4-9-12(16-11(8)6-2-3-7(29)10(6)20(32)35-16)13-15(30)19(36-21(13)34-9)27(5-28)14-17(23)25-22(24)26-18(14)31/h4-5,13-15,17,19,21,30H,2-3,23H2,1H3,(H3,24,25,26,31)

InChIKey

FHOGQUJXZQHYJR-UHFFFAOYSA-N

Smiles

COc1cc2OC3OC(C(O)C3c2c4OC(=O)C5=C(CCC5=O)c14)N(C=O)C6C(N)N=C(N)NC6=O