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Substance Name: (5'-(Tryptaminocarbonyl)-2'-deoxyribofuranosyl)thymine
RN: 76500-11-3
InChIKey: DILDXMFFZQNCPJ-BBWFWOEESA-N

Note

  • Model cpd for study of interaction between indole and thymine rings.

Molecular Weight

  • 398.417
 
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Names and Synonyms

Name of Substance

  • (5'-(Tryptaminocarbonyl)-2'-deoxyribofuranosyl)thymine

Synonym

  • 5-Tctd

Systematic Name

  • beta-D-erythro-Pentofuranuronamide, 1,2-dideoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-N-(2-(1H-indol-3-yl)ethyl)-

Registry Numbers

CAS Registry Number

  • 76500-11-3

System Generated Number

  • 0076500113

Structure Descriptors

InChI

1S/C20H22N4O5/c1-11-10-24(20(28)23-18(11)26)16-8-15(25)17(29-16)19(27)21-7-6-12-9-22-14-5-3-2-4-13(12)14/h2-5,9-10,15-17,22,25H,6-8H2,1H3,(H,21,27)(H,23,26,28)/t15-,16+,17-/m0/s1

InChIKey

DILDXMFFZQNCPJ-BBWFWOEESA-N

Smiles

c1c2[nH]cc(c2ccc1)CCNC([C@@H]1[C@@H](O)C[C@@H](O1)n1c(=O)[nH]c(=O)c(c1)C)=O