505079-04-9
4-[(5Z)-5-([2-[(2-FURYLMETHYL)AMINO]-7-METHYL-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-([2-[(2-FURYLMETHYL)AMINO]-7-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]BUTANOIC ACID
pro_formulaC22 H20 N4 O5 S2
1Identification
【Name】
4-[(5Z)-5-([2-[(2-FURYLMETHYL)AMINO]-7-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]BUTANOIC ACID
【CAS】
【MDL】
MFCD03496115
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H20 N4 O5 S2
【pro_molWeight】
484.555
【Inchi】
InChI=1S/C22H20N4O5S2/c1-13-6-7-17-24-19(23-11-14-4-3-9-31-14)15(20(29)26(17)12-13)10-16-21(30)25(22(32)33-16)8-2-5-18(27)28/h3-4,6-7,9-10,12,23H,2,5,8,11H2,1H3,(H,27,28)/b16-10-
【InChIKey】
InChIKey=FTRRQJMEYJBFBT-YBEGLDIGSA-N
【SMILES】
Cc1ccc2nc(c(c(=O)n2c1)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)O)NCc4ccco4
【MOL File】
4-[(5Z)-5-([2-[(2-FU….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:9
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-[(5Z)-5-([2-[(2-FURYLMETHYL)AMINO]-7-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL]BUTANOIC ACID.cml