5426-44-8
1,3-DIMETHYL-5,8-DIHYDROPTERIDINE-2,4,6,7-TETRONE
Name1,3-DIMETHYL-5,8-DIHYDROPTERIDINE-2,4,6,7-TETRONE
1Identification
【Name】
1,3-DIMETHYL-5,8-DIHYDROPTERIDINE-2,4,6,7-TETRONE
【CAS】
【MDL】
MFCD18833920
【English Synonyms】
【Formula】
C8 H8 N4 O4
【MolWeight】
224.175
【Inchi】
InChI=1S/C8H8N4O4/c1-11-4-3(7(15)12(2)8(11)16)9-5(13)6(14)10-4/h1-2H3,(H,9,13)(H,10,14)
【InChIKey】
InChIKey=YAPQSPLVRCMXQT-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)[nH]c(=O)c(=O)[nH]2
【MOL File】
1,3-DIMETHYL-5,8-DIH….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
1,3-DIMETHYL-5,8-DIHYDROPTERIDINE-2,4,6,7-TETRONE.cml