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Substance Name: 6H-Purin-6-one, 1,7-dihydro-2-((7,8,9,10-tetrahydro-7,8,9-trihydroxybenzo(a)pyren-10-yl)amino)-, (7R-(7alpha,8beta,9beta,10beta))-
RN: 130694-28-9
InChIKey: AIVSSPXQYKNOSI-NMIHRBCNSA-N

Molecular Formula

  • C25-H19-N5-O4

Molecular Weight

  • 453.456
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 130694-28-9

System Generated Number

  • 0130694289

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+/m1/s1

InChIKey

AIVSSPXQYKNOSI-NMIHRBCNSA-N

Smiles

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