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Substance Name: Ditc-xac
RN: 119305-41-8
InChIKey: UIQNSBMRMNOCFJ-UHFFFAOYSA-N

Note

  • Labels A1 adenosine receptor.

Molecular Formula

  • C29-H32-N8-O5-S2

Molecular Weight

  • 636.7548
 
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Names and Synonyms

Results Name

  • Ditc-xac

Name of Substance

  • 1,3-Dipropyl-8-(isothiocyanatophenyl(aminothiocarbonyl-(2-aminoethylaminocarbonyl-(4-methyloxy(phenyl)))))xanthine

Synonym

  • Ditc-xac

Systematic Name

  • Acetamide, N-(2-(((((3-isothiocyanatophenyl)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

  • 119305-41-8

System Generated Number

  • 0119305418

Structure Descriptors

InChI

1S/C29H32N8O5S2/c1-3-14-36-26-24(27(39)37(15-4-2)29(36)41)33-25(34-26)19-8-10-22(11-9-19)42-17-23(38)30-12-13-31-28(40)44-35-21-7-5-6-20(16-21)32-18-43/h5-11,16,35H,3-4,12-15,17H2,1-2H3,(H,30,38)(H,31,40)(H,33,34)

InChIKey

UIQNSBMRMNOCFJ-UHFFFAOYSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)c3ccc(cc3)OCC(=O)NCCNC(=O)SNc4cccc(c4)N=C=S