575460-08-1
N-(3,5-DIMETHOXYPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(3,5-DIMETHOXYPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
1Identification
【Name】
N-(3,5-DIMETHOXYPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04026574
【English Synonyms】
【Formula】
C20 H23 N3 O4 S2
【MolWeight】
433.551
【Inchi】
InChI=1S/C20H23N3O4S2/c1-6-23-19(25)17-11(2)12(3)29-18(17)22-20(23)28-10-16(24)21-13-7-14(26-4)9-15(8-13)27-5/h7-9H,6,10H2,1-5H3,(H,21,24)
【InChIKey】
InChIKey=TYFXZEKAPYUSAW-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3cc(cc(c3)OC)OC)C)C
【MOL File】
N-(3,5-DIMETHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3,5-DIMETHOXYPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml