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Substance Name: S 9795
RN: 112666-96-3
InChIKey: OEHQNUNEMMXGRU-UHFFFAOYSA-N

Molecular Formula

  • C29-H36-N6-O2

Molecular Weight

  • 500.6434
 
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Names and Synonyms

Name of Substance

  • S 9795

Synonyms

  • 1-Methyl-3-isobutyl-8-(2-ethyl(1-(4-diphenylmethylpiperazinyl)))-3,7-dihydro-(1H)-purine 2,6-dione
  • S-9795

Systematic Name

  • 1H-Purine-2,6-dione, 8-(4-(diphenylmethyl)-2-ethyl-1-piperazinyl)-3,7-dihydro-1-methyl-3-(2-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 112666-96-3

System Generated Number

  • 0112666963

Structure Descriptors

InChI

1S/C29H36N6O2/c1-21(2)20-35-27-25(28(36)32(3)29(35)37)30-24(31-27)14-15-33-16-18-34(19-17-33)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,21,26H,14-20H2,1-3H3,(H,30,31)

InChIKey

OEHQNUNEMMXGRU-UHFFFAOYSA-N

Smiles

CC(C)Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)CCN3CCN(CC3)C(c4ccccc4)c5ccccc5