686267-35-6
1-BENZYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
Name1-BENZYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
1Identification
【Name】
1-BENZYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
【CAS】
【MDL】
MFCD17011931
【English Synonyms】
【Formula】
C14 H11 N3 O3 S
【MolWeight】
301.325
【Inchi】
InChI=1S/C14H11N3O3S/c1-21-13-15-7-10-11(16-13)17(14(19)20-12(10)18)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
【InChIKey】
InChIKey=DZJDHZOCTGDHQL-UHFFFAOYSA-N
【SMILES】
CSc1ncc2c(n1)n(c(=O)oc2=O)Cc3ccccc3
【MOL File】
1-BENZYL-7-(METHYLTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-BENZYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE.cml