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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 18:31, 9 January 2012 (Saving copy of the {{chembox}} taken from revid 452561034 of page TAN-1057_A 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 18:31, 9 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 452561034 of page TAN-1057_A 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 452561034 of page TAN-1057_A with values updated to verified values.
TAN-1057 A (top) and TAN-1057 B (bottom)
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C13H25N9O3/c1-22(8-6-19-13(20-10(8)24)21-12(17)25)9(23)5-7(14)3-2-4-18-11(15)16/h7-8H,2-6,14H2,1H3,(H4,15,16,18)(H4,17,19,20,21,24,25)/t7-,8+/m0/s1Key: ZMWBCGMRXBPXEU-JGVFFNPUSA-N
  • InChI=1/C13H25N9O3/c1-22(8-6-19-13(20-10(8)24)21-12(17)25)9(23)5-7(14)3-2-4-18-11(15)16/h7-8H,2-6,14H2,1H3,(H4,15,16,18)(H4,17,19,20,21,24,25)/t7-,8+/m0/s1Key: ZMWBCGMRXBPXEU-JGVFFNPUBF
SMILES
  • O=C1N\C(=N/C1N(C(=O)C(N)CCC/N=C(\N)N)C)NC(=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