585552-97-2
N-(5-CHLORO-2-METHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(5-CHLORO-2-METHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
FormulaC19 H20 Cl N3 O2 S2
1Identification
【Name】
N-(5-CHLORO-2-METHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04028158
【English Synonyms】
【Formula】
C19 H20 Cl N3 O2 S2
【MolWeight】
421.971
【Inchi】
InChI=1S/C19H20ClN3O2S2/c1-5-23-18(25)16-11(3)12(4)27-17(16)22-19(23)26-9-15(24)21-14-8-13(20)7-6-10(14)2/h6-8H,5,9H2,1-4H3,(H,21,24)
【InChIKey】
InChIKey=MHNSFTOJVLNDDE-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3cc(ccc3C)Cl)C)C
【MOL File】
N-(5-CHLORO-2-METHYL….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-(5-CHLORO-2-METHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml