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Substance Name: 8-(4-(((((2-((((3-Isothiocyanatophenyl)amino)(thiocarbonyl))amino)ethyl)amino)carbonyl)methyl)oxy)phenyl)-1,3-dipropylxanthine
RN: 120059-19-0
InChIKey: OKFOOQXOTKWKJI-UHFFFAOYSA-N

Note

  • Purinergic receptors antagonist.

Molecular Weight

  • 620.756
 
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Names and Synonyms

Name of Substance

  • 8-(4-(((((2-((((3-Isothiocyanatophenyl)amino)(thiocarbonyl))amino)ethyl)amino)carbonyl)methyl)oxy)phenyl)-1,3-dipropylxanthine

Synonyms

  • 1,3-Ncs-xac
  • 1,3-Phenylene diisothiocyanate xac

Registry Numbers

CAS Registry Number

  • 120059-19-0

System Generated Number

  • 0120059190

Structure Descriptors

InChI

1S/C29H32N8O4S2/c1-3-14-36-26-24(27(39)37(15-4-2)29(36)40)34-25(35-26)19-8-10-22(11-9-19)41-17-23(38)30-12-13-31-28(43)33-21-7-5-6-20(16-21)32-18-42/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,30,38)(H,34,35)(H2,31,33,43)

InChIKey

OKFOOQXOTKWKJI-UHFFFAOYSA-N

Smiles

[nH]1c2c(n(c(n(c2nc1c1ccc(cc1)OCC(=O)NCCNC(=S)Nc1cc(ccc1)N=C=S)CCC)=O)CCC)=O