50787-03-6
2,4,6(3H)-PTERIDINETRIONE, 7-AMINO-1,5-DIHYDRO-1,3-DIMETHYL-
Name2,4,6(3H)-PTERIDINETRIONE, 7-AMINO-1,5-DIHYDRO-1,3-DIMETHYL-
1Identification
【Name】
2,4,6(3H)-PTERIDINETRIONE, 7-AMINO-1,5-DIHYDRO-1,3-DIMETHYL-
【CAS】
【MDL】
MFCD18812114
【English Synonyms】
【Formula】
C8 H9 N5 O3
【MolWeight】
223.191
【Inchi】
InChI=1S/C8H9N5O3/c1-12-5-3(7(15)13(2)8(12)16)10-6(14)4(9)11-5/h1-2H3,(H2,9,11)(H,10,14)
【InChIKey】
InChIKey=CPXMLFUNERGFAZ-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)[nH]c(=O)c(n2)N
【MOL File】
2,4,6(3H)-PTERIDINET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4,6(3H)-PTERIDINETRIONE, 7-AMINO-1,5-DIHYDRO-1,3-DIMETHYL-.cml