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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 18:32, 9 January 2012 (Saving copy of the {{chembox}} taken from revid 407889498 of page TAN-1057_C for the Chem/Drugbox validation project (updated: 'CASNo').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 18:32, 9 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 407889498 of page TAN-1057_C for the Chem/Drugbox validation project (updated: 'CASNo').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 407889498 of page TAN-1057_C with values updated to verified values.
TAN-1057 C (top) and TAN-1057 D (bottom)
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C13H25N9O3/c1-22-9(6-19-20-7-18-13(16)25)11(24)21-8(5-10(22)23)3-2-4-17-12(14)15/h7-9,19H,2-6H2,1H3,(H,21,24)(H4,14,15,17)(H3,16,18,20,25)/t8-,9+/m0/s1Key: PNFFUPQADHHLMN-DTWKUNHWSA-N
  • InChI=1/C13H25N9O3/c1-22-9(6-19-20-7-18-13(16)25)11(24)21-8(5-10(22)23)3-2-4-17-12(14)15/h7-9,19H,2-6H2,1H3,(H,21,24)(H4,14,15,17)(H3,16,18,20,25)/t8-,9+/m0/s1Key: PNFFUPQADHHLMN-DTWKUNHWBI
SMILES
  • O=C1N(C)(C(=O)N(C1)CCC/N=C(\N)N)CNN\C=N\C(=O)N
Properties
Chemical formula C13H25N9O3
Molar mass 355.403 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound