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Substance Name: 5,10,15-Triphenyl-(20-(5-fluorouracil)acetylamino)phenylporphyrin
RN: 137861-86-0
InChIKey: ADMXAOFHVJQWBS-BRNXAVTDSA-N

Molecular Formula

  • C50-H34-F-N7-O3

Molecular Weight

  • 799.8626
 
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Names and Synonyms

Name of Substance

  • 5,10,15-Triphenyl-(20-(5-fluorouracil)acetylamino)phenylporphyrin

Synonyms

  • 5,10,15-Tfupp
  • 5-Fluoro-3,4-dihydro-2,4-dioxo-N-(2-(10,15,20-triphenyl-21H,23H-porphin-5-yl)phenyl)-1(2H)-pyrimidineacetamide

Systematic Name

  • 1(2H)-Pyrimidineacetamide, 5-fluoro-3,4-dihydro-2,4-dioxo-N-(2-(10,15,20-triphenyl-21H,23H-porphin-5-yl)phenyl)-

Registry Numbers

CAS Registry Number

  • 137861-86-0

System Generated Number

  • 0137861860

Structure Descriptors

InChI

1S/C50H34FN7O3/c51-34-28-58(50(61)57-49(34)60)29-44(59)56-35-19-11-10-18-33(35)48-42-26-24-40(54-42)46(31-14-6-2-7-15-31)38-22-20-36(52-38)45(30-12-4-1-5-13-30)37-21-23-39(53-37)47(32-16-8-3-9-17-32)41-25-27-43(48)55-41/h1-28,52,55H,29H2,(H,56,59)(H,57,60,61)/b45-36-,45-37-,46-38-,46-40-,47-39-,47-41-,48-42-,48-43-

InChIKey

ADMXAOFHVJQWBS-BRNXAVTDSA-N

Smiles

c1ccc(cc1)c2/c3ccc([nH]3)/c(c/4\nc(/c(c\5/cc/c(/[nH]5)c(/c6n\c2\C=C6)\c7ccccc7)/c8ccccc8NC(=O)Cn9cc(c(=O)[nH]c9=O)F)C=C4)/c1ccccc1