573950-40-0
N-(4-BUTYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
NameN-(4-BUTYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
pro_formulaC22 H27 N3 O2 S2
1Identification
【Name】
N-(4-BUTYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04021370
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H27 N3 O2 S2
【pro_molWeight】
429.606
【Inchi】
InChI=1S/C22H27N3O2S2/c1-5-7-8-16-9-11-17(12-10-16)23-18(26)13-28-22-24-20-19(14(3)15(4)29-20)21(27)25(22)6-2/h9-12H,5-8,13H2,1-4H3,(H,23,26)
【InChIKey】
InChIKey=HALHMNYPIXWLCO-UHFFFAOYSA-N
【SMILES】
CCCCc1ccc(cc1)NC(=O)CSc2nc3c(c(c(s3)C)C)c(=O)n2CC
【MOL File】
N-(4-BUTYLPHENYL)-2-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(4-BUTYLPHENYL)-2-[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETAMIDE.cml