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Home> Encyclopedia > Hot Product Listed 5   > 5H-Cyclopenta[b]pyridinium,4-[[[7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo...
794553-05-2 structure

5H-Cyclopenta[b]pyridinium,4-[[[7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-6,7-dihydro-1-methyl-,inner salt, [6R-[6a,7b(Z)]]- (9CI)

Iupac Name:N-(4-amino-1-methylpteridin-2-ylidene)acetamide
CAS No.:794553-05-2
Molecular Weight:218.22
Molecular Formula:C25H32O11 (isomer)
Names and Identifiers
Synonyms

5H-1-Pyrindinium,4-[[[7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]thio]-6,7-dihydro-1-methyl-,inner salt, [6R-[6a,7b(Z)]]-

Inchi
InChI=1S/C9H10N6O/c1-5(16)13-9-14-7(10)6-8(15(9)2)12-4-3-11-6/h3-4H,1-2H3,(H2,10,13,14,16)
InChkey
CUSKLPRFEWKNAP-UHFFFAOYSA-N
Canonical Smiles
CC(=O)N=C1N=C(C2=NC=CN=C2N1C)N
Properties
Flash Point
326.9°C
Computational chemical data
  • Molecular Weight:218.22g/mol
  • Molecular Formula:C25H32O11
  • Compound Is Canonicalized:True
  • Exact Mass:218.092
  • Monoisotopic Mass:218.092
  • Complexity:363
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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