730949-90-3
7-TERT-BUTYL-1,3-DIMETHYL-5-SULFANYL-1H,2H,3H,4H-[1,3]DIAZINO[4,5-D]PYRIMIDINE-2,4-DIONE
Name7-TERT-BUTYL-1,3-DIMETHYL-5-SULFANYL-1H,2H,3H,4H-[1,3]DIAZINO[4,5-D]PYRIMIDINE-2,4-DIONE
1Identification
【Name】
7-TERT-BUTYL-1,3-DIMETHYL-5-SULFANYL-1H,2H,3H,4H-[1,3]DIAZINO[4,5-D]PYRIMIDINE-2,4-DIONE
【CAS】
【MDL】
MFCD04621489
【English Synonyms】
【Formula】
C12 H16 N4 O2 S
【MolWeight】
280.35
【Inchi】
InChI=1S/C12H16N4O2S/c1-12(2,3)10-13-7-6(8(19)14-10)9(17)16(5)11(18)15(7)4/h1-5H3,(H,13,14,19)
【InChIKey】
InChIKey=NXKJFKZBSPLWDD-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1nc2c(c(n1)S)c(=O)n(c(=O)n2C)C
【MOL File】
7-TERT-BUTYL-1,3-DIM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-TERT-BUTYL-1,3-DIMETHYL-5-SULFANYL-1H,2H,3H,4H-[1,3]DIAZINO[4,5-D]PYRIMIDINE-2,4-DIONE.cml