579446-87-0
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
FormulaC20 H22 Cl N3 O2 S2
1Identification
【Name】
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04034506
【English Synonyms】
【Formula】
C20 H22 Cl N3 O2 S2
【MolWeight】
435.998
【Inchi】
InChI=1S/C20H22ClN3O2S2/c1-6-24-19(26)16-12(4)13(5)28-18(16)23-20(24)27-9-15(25)22-17-11(3)7-10(2)8-14(17)21/h7-8H,6,9H2,1-5H3,(H,22,25)
【InChIKey】
InChIKey=DESNQKXOCQLSAZ-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3c(cc(cc3Cl)C)C)C)C
【MOL File】
N-(2-CHLORO-4,6-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml