505079-02-7
4-((5Z)-5-[[7-METHYL-2-(4-MORPHOLINYL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BUTANOIC ACID
Name4-((5Z)-5-[[7-METHYL-2-(4-MORPHOLINYL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BUTANOIC ACID
pro_formulaC21 H22 N4 O5 S2
1Identification
【Name】
4-((5Z)-5-[[7-METHYL-2-(4-MORPHOLINYL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BUTANOIC ACID
【CAS】
【MDL】
MFCD03496112
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H22 N4 O5 S2
【pro_molWeight】
474.56
【Inchi】
InChI=1S/C21H22N4O5S2/c1-13-4-5-16-22-18(23-7-9-30-10-8-23)14(19(28)25(16)12-13)11-15-20(29)24(21(31)32-15)6-2-3-17(26)27/h4-5,11-12H,2-3,6-10H2,1H3,(H,26,27)/b15-11-
【InChIKey】
InChIKey=IFFJUTIUKVYXKF-PTNGSMBKSA-N
【SMILES】
Cc1ccc2nc(c(c(=O)n2c1)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)O)N4CCOCC4
【MOL File】
4-((5Z)-5-[[7-METHYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:9
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-((5Z)-5-[[7-METHYL-2-(4-MORPHOLINYL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE]-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)BUTANOIC ACID.cml