578749-67-4
2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(2-ETHYL-6-METHYLPHENYL)ACETAMIDE
Name2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(2-ETHYL-6-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(2-ETHYL-6-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04024272
【English Synonyms】
【Formula】
C21 H25 N3 O2 S2
【MolWeight】
415.579
【Inchi】
InChI=1S/C21H25N3O2S2/c1-6-15-10-8-9-12(3)18(15)22-16(25)11-27-21-23-19-17(13(4)14(5)28-19)20(26)24(21)7-2/h8-10H,6-7,11H2,1-5H3,(H,22,25)
【InChIKey】
InChIKey=VLRZSPLSJJYZBA-UHFFFAOYSA-N
【SMILES】
CCc1cccc(c1NC(=O)CSc2nc3c(c(c(s3)C)C)c(=O)n2CC)C
【MOL File】
2-[(3-ETHYL-5,6-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
2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]-N-(2-ETHYL-6-METHYLPHENYL)ACETAMIDE.cml