577763-65-6
N-(2,5-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(2,5-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
pro_formulaC20 H23 N3 O2 S2
1Identification
【Name】
N-(2,5-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04018713
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H23 N3 O2 S2
【pro_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)21-15-9-11(2)7-8-12(15)3/h7-9H,6,10H2,1-5H3,(H,21,24)
【InChIKey】
InChIKey=KCTZPPYKHIOKGI-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCC(=O)Nc3cc(ccc3C)C)C)C
【MOL File】
N-(2,5-DIMETHYLPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,5-DIMETHYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml