500289-38-3
2,4,6,7(1H,3H)-PTERIDINETETRONE, 5,8-DIHYDRO-3,8-DIMETHYL-
Name2,4,6,7(1H,3H)-PTERIDINETETRONE, 5,8-DIHYDRO-3,8-DIMETHYL-
1Identification
【Name】
2,4,6,7(1H,3H)-PTERIDINETETRONE, 5,8-DIHYDRO-3,8-DIMETHYL-
【CAS】
【MDL】
MFCD18812117
【English Synonyms】
【Formula】
C8 H8 N4 O4
【MolWeight】
224.175
【Inchi】
InChI=1S/C8H8N4O4/c1-11-4-3(9-5(13)7(11)15)6(14)12(2)8(16)10-4/h1-2H3,(H,9,13)(H,10,16)
【InChIKey】
InChIKey=FYLPUDJJGGLHDL-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c(=O)[nH]2)C)[nH]c(=O)c1=O
【MOL File】
2,4,6,7(1H,3H)-PTERI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4,6,7(1H,3H)-PTERIDINETETRONE, 5,8-DIHYDRO-3,8-DIMETHYL-.cml