577762-90-4
ISOPROPYL [(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETATE
NameISOPROPYL [(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETATE
1Identification
【Name】
ISOPROPYL [(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETATE
【CAS】
【MDL】
MFCD04018638
【English Synonyms】
【Formula】
C15 H20 N2 O3 S2
【MolWeight】
340.466
【Inchi】
InChI=1S/C15H20N2O3S2/c1-6-17-14(19)12-9(4)10(5)22-13(12)16-15(17)21-7-11(18)20-8(2)3/h8H,6-7H2,1-5H3
【InChIKey】
InChIKey=CYIYFVQEKRIACC-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)OC(C)C)C)C
【MOL File】
ISOPROPYL [(3-ETHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ISOPROPYL [(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETATE.cml