577762-51-7
ME((3-ET-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO(2,3-D)PYRIMIDIN-2-YL)THIO)ACETATE
NameME((3-ET-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO(2,3-D)PYRIMIDIN-2-YL)THIO)ACETATE
1Identification
【Name】
ME((3-ET-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO(2,3-D)PYRIMIDIN-2-YL)THIO)ACETATE
【CAS】
【MDL】
MFCD04018593
【English Synonyms】
【Formula】
C13 H16 N2 O3 S2
【MolWeight】
312.412
【Inchi】
InChI=1S/C13H16N2O3S2/c1-5-15-12(17)10-7(2)8(3)20-11(10)14-13(15)19-6-9(16)18-4/h5-6H2,1-4H3
【InChIKey】
InChIKey=HAEQUJZVJNAWGC-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)OC)C)C
【MOL File】
ME((3-ET-5,6-DIMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ME((3-ET-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO(2,3-D)PYRIMIDIN-2-YL)THIO)ACETATE.cml