50996-38-8
1,5-DIHYDRO-1,3-DIMETHYL-7-PHENYL-2,4,6(3H)-PTERIDINETRIONE
Name1,5-DIHYDRO-1,3-DIMETHYL-7-PHENYL-2,4,6(3H)-PTERIDINETRIONE
1Identification
【Name】
1,5-DIHYDRO-1,3-DIMETHYL-7-PHENYL-2,4,6(3H)-PTERIDINETRIONE
【CAS】
【MDL】
MFCD18812104
【English Synonyms】
【Formula】
C14 H12 N4 O3
【MolWeight】
284.274
【Inchi】
InChI=1S/C14H12N4O3/c1-17-11-10(13(20)18(2)14(17)21)16-12(19)9(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,16,19)
【InChIKey】
InChIKey=TZVMYGFPLIUWTM-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)[nH]c(=O)c(n2)c3ccccc3
【MOL File】
1,5-DIHYDRO-1,3-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,5-DIHYDRO-1,3-DIMETHYL-7-PHENYL-2,4,6(3H)-PTERIDINETRIONE.cml