76360-89-9
1-ISOPROPYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
Name1-ISOPROPYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
1Identification
【Name】
1-ISOPROPYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
【CAS】
【MDL】
MFCD17011929
【English Synonyms】
【Formula】
C10 H11 N3 O3 S
【MolWeight】
253.281
【Inchi】
InChI=1S/C10H11N3O3S/c1-5(2)13-7-6(8(14)16-10(13)15)4-11-9(12-7)17-3/h4-5H,1-3H3
【InChIKey】
InChIKey=XHIMXDLDGFQIRM-UHFFFAOYSA-N
【SMILES】
CC(C)n1c2c(cnc(n2)SC)c(=O)oc1=O
【MOL File】
1-ISOPROPYL-7-(METHY….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-ISOPROPYL-7-(METHYLTHIO)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE.cml