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Substance Name: ED-p-Ditc-xac
RN: 119305-44-1
InChIKey: QJPCSTWBXCCCGJ-UHFFFAOYSA-N

Note

  • Labels A1 adenosine receptor.

Molecular Formula

  • C31-H40-N10-O6-S2

Molecular Weight

  • 712.853
 
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Names and Synonyms

Results Name

  • ED-p-Ditc-xac

Name of Substance

  • 1,3-Dipropyl-8-(2-aminoethylaminothiocarbonyl-(4-aminophenyl)(aminothiocarbonyl-(2-aminoethylaminocarbonyl-(4-methoxy(phenyl)))))xanthine

Synonym

  • ED-p-Ditc-xac

Systematic Name

  • Acetamide, N-(2-(((((4-(((((2-aminoethyl)amino)thio)carbonyl)amino)phenyl)amino)thio)carbonyl)amino)ethyl)-2-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 119305-44-1

System Generated Number

  • 0119305441

Structure Descriptors

InChI

1S/C31H40N10O6S2/c1-3-17-40-27-25(28(43)41(18-4-2)31(40)46)37-26(38-27)20-5-11-23(12-6-20)47-19-24(42)33-15-16-34-29(44)49-39-22-9-7-21(8-10-22)36-30(45)48-35-14-13-32/h5-12,35,39H,3-4,13-19,32H2,1-2H3,(H,33,42)(H,34,44)(H,36,45)(H,37,38)

InChIKey

QJPCSTWBXCCCGJ-UHFFFAOYSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)c3ccc(cc3)OCC(=O)NCCNC(=O)SNc4ccc(cc4)NC(=O)SNCCN