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Substance Name: 6H-Purin-6-one, 1,7-dihydro-2-(((7R,8S,9R,10S)-7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)amino)-
RN: 78779-87-0
InChIKey: AIVSSPXQYKNOSI-PDGJWGCVSA-N

Molecular Weight

  • 453.456
 
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Names and Synonyms

  • 6H-Purin-6-one, 1,7-dihydro-2-(((7R,8S,9R,10S)-7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)amino)-

Registry Numbers

CAS Registry Number

  • 78779-87-0

System Generated Number

  • 0078779870

Structure Descriptors

InChI

1S/C25H19N5O4/c31-20-14-8-12-5-4-10-2-1-3-11-6-7-13(16(12)15(10)11)17(14)18(21(32)22(20)33)28-25-29-23-19(24(34)30-25)26-9-27-23/h1-9,18,20-22,31-33H,(H3,26,27,28,29,30,34)/t18-,20+,21+,22-/m0/s1

InChIKey

AIVSSPXQYKNOSI-PDGJWGCVSA-N

Smiles

[nH]1cnc2nc([nH]c(c12)=O)N[C@@H]1[C@H]([C@H]([C@@H](c2c1c1ccc3cccc4ccc(c2)c1c34)O)O)O