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Substance Name: 8-Benzo(a)pyren-6-ylguanine
RN: 34973-29-0
InChIKey: YJAQIARKOQFXBX-UHFFFAOYSA-N

Molecular Formula

  • C25-H15-N5-O

Molecular Weight

  • 401.427
 
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Names and Synonyms

Results Name

  • 8-Benzo(a)pyren-6-ylguanine

Synonym

  • 8-Benzo(a)pyren-6-ylguanine

Systematic Name

  • 6H-Purin-6-one, 2-amino-8-benzo(a)pyren-6-yl-1,7-dihydro-

Registry Numbers

CAS Registry Number

  • 34973-29-0

System Generated Number

  • 0034973290

Structure Descriptors

InChI

1S/C25H15N5O/c26-25-29-23-21(24(31)30-25)27-22(28-23)20-15-7-2-1-6-14(15)16-10-8-12-4-3-5-13-9-11-17(20)19(16)18(12)13/h1-11H,(H4,26,27,28,29,30,31)

InChIKey

YJAQIARKOQFXBX-UHFFFAOYSA-N

Smiles

[nH]1c(nc2nc([nH]c(c12)=O)N)c1c2c(c3ccc4cccc5ccc1c3c45)cccc2