1253791-06-8
1-ALLYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
Name1-ALLYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
1Identification
【Name】
1-ALLYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
【CAS】
【MDL】
MFCD17011933
【English Synonyms】
【Formula】
C10 H9 N3 O3 S
【MolWeight】
251.265
【Inchi】
InChI=1S/C10H9N3O3S/c1-3-4-13-7-6(8(14)16-10(13)15)5-11-9(12-7)17-2/h3,5H,1,4H2,2H3
【InChIKey】
InChIKey=ZPNRFCJOJBFRIP-UHFFFAOYSA-N
【SMILES】
CSc1ncc2c(n1)n(c(=O)oc2=O)CC=C
【MOL File】
1-ALLYL-7-(METHYLTHI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-ALLYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE.cml