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Substance Name: 2-Amino-7-benzo(a)pyren-6-yl-3H-purin-6-one
RN: 114378-32-4
InChIKey: VDYQBPUYFKNVTH-UHFFFAOYSA-N

Molecular Formula

  • C25-H15-N5-O

Molecular Weight

  • 401.427
 
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Names and Synonyms

  • 2-Amino-7-benzo(a)pyren-6-yl-3H-purin-6-one

Registry Numbers

CAS Registry Number

  • 114378-32-4

System Generated Number

  • 0114378324

Structure Descriptors

InChI

1S/C25H15N5O/c26-25-28-23-22(24(31)29-25)30(12-27-23)21-17-7-2-1-6-15(17)16-10-8-13-4-3-5-14-9-11-18(21)20(16)19(13)14/h1-12H,(H3,26,28,29,31)

InChIKey

VDYQBPUYFKNVTH-UHFFFAOYSA-N

Smiles

n1(cnc2nc([nH]c(c12)=O)N)c1c2c(c3ccc4cccc5ccc1c3c45)cccc2