585552-00-7
N-(3,5-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(3,5-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
1Identification
【Name】
N-(3,5-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04030011
【English Synonyms】
【Formula】
C20 H23 N3 O2 S2
【MolWeight】
401.553
【Inchi】
InChI=1S/C20H23N3O2S2/c1-6-23-19(25)17-13(4)14(5)27-18(17)22-20(23)26-10-16(24)21-15-8-11(2)7-12(3)9-15/h7-9H,6,10H2,1-5H3,(H,21,24)
【InChIKey】
InChIKey=NHXZOUYWUWFTDY-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3cc(cc(c3)C)C)C)C
【MOL File】
N-(3,5-DIMETHYLPHENY….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-(3,5-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml