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Substance Name: N(2)-((Chrysen-5-yl)methyl)guanine
RN: 117606-17-4
InChIKey: XINSXRDSIDZSGC-UHFFFAOYSA-N

Note

  • DNA base adduct.

Molecular Formula

  • C24-H17-N5-O

Molecular Weight

  • 391.4323
 
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Names and Synonyms

Name of Substance

  • N(2)-((Chrysen-5-yl)methyl)guanine

Synonym

  • N2-Cymg

Systematic Name

  • 6H-Purin-6-one, 2-((5-chrysenylmethyl)amino)-1,7-dihydro-

Registry Numbers

CAS Registry Number

  • 117606-17-4

System Generated Number

  • 0117606174

Structure Descriptors

InChI

1S/C24H17N5O/c30-23-21-22(27-13-26-21)28-24(29-23)25-12-16-11-15-6-2-3-7-17(15)19-10-9-14-5-1-4-8-18(14)20(16)19/h1-11,13H,12H2,(H3,25,26,27,28,29,30)

InChIKey

XINSXRDSIDZSGC-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)ccc3c2c(cc4c3cccc4)CNc5[nH]c(=O)c6c(n5)nc[nH]6