THEOPHYLLOL(8002-89-9) IR1
Product NameTHEOPHYLLOL
CAS8002-89-9
Molecular FormulaC9H14N4Na2O4
Molecular Weight288.21
InChIInChI=1S/C7H8N4O2.C2H4O2.2Na.2H/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-2(3)4;;;;/h3H,1-2H3,(H,8,9);1H3,(H,3,4);;;;
InChIKey KHPPGRFDUOOZSB-UHFFFAOYSA-N
SmilesC(=O)(O)C.O=C1N(C(=O)N(C)C2NC=NC1=2)C.[NaH].[NaH]
