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Substance Name: N(6)-((Chrysen-5-yl)methyl)adenine
RN: 117606-16-3
InChIKey: CTFRLNJWYCKBNP-UHFFFAOYSA-N

Note

  • DNA base adduct.

Molecular Formula

  • C24-H17-N5

Molecular Weight

  • 375.433
 
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Names and Synonyms

Name of Substance

  • N(6)-((Chrysen-5-yl)methyl)adenine

Synonym

  • N6-Cyma

Systematic Name

  • 1H-Purin-6-amine, N-(5-chrysenylmethyl)-

Registry Numbers

CAS Registry Number

  • 117606-16-3

System Generated Number

  • 0117606163

Structure Descriptors

InChI

1S/C24H17N5/c1-4-8-19-15(5-1)9-10-20-18-7-3-2-6-16(18)11-17(21(19)20)12-25-23-22-24(27-13-26-22)29-14-28-23/h1-11,13-14H,12H2,(H2,25,26,27,28,29)

InChIKey

CTFRLNJWYCKBNP-UHFFFAOYSA-N

Smiles

n1cnc2nc[nH]c(c12)NCc1c2c3ccccc3ccc2c2ccccc2c1