505079-01-6
3-((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)PROPANOIC ACID
Name3-((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)PROPANOIC ACID
pro_formulaC20 H20 N4 O5 S2
1Identification
【Name】
3-((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)PROPANOIC ACID
【CAS】
【MDL】
MFCD03496111
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H20 N4 O5 S2
【pro_molWeight】
460.533
【Inchi】
InChI=1S/C20H20N4O5S2/c1-12-2-3-15-21-17(22-6-8-29-9-7-22)13(18(27)24(15)11-12)10-14-19(28)23(20(30)31-14)5-4-16(25)26/h2-3,10-11H,4-9H2,1H3,(H,25,26)/b14-10-
【InChIKey】
InChIKey=AJODXRQJSVMLSY-UVTDQMKNSA-N
【SMILES】
Cc1ccc2nc(c(c(=O)n2c1)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O)N4CCOCC4
【MOL File】
3-((5Z)-5-[[7-METHYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:9
XLogP3:-1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-((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)PROPANOIC ACID.cml