50256-18-3
1-METHYL-2,4(1H,3H)-PTERIDINEDIONE
Name1-METHYL-2,4(1H,3H)-PTERIDINEDIONE
1Identification
【Name】
1-METHYL-2,4(1H,3H)-PTERIDINEDIONE
【CAS】
【MDL】
MFCD02167479
【English Synonyms】
【Formula】
C7 H6 N4 O2
【MolWeight】
178.15
【Inchi】
InChI=1S/C7H6N4O2/c1-11-5-4(8-2-3-9-5)6(12)10-7(11)13/h2-3H,1H3,(H,10,12,13)
【InChIKey】
InChIKey=UYKSIAWLPKJVJX-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)[nH]c1=O)nccn2
【MOL File】
1-METHYL-2,4(1H,3H)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-2,4(1H,3H)-PTERIDINEDIONE.cml