439140-53-1
[5-(3,4-DIMETHOXYPHENYL)-4-OXOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]ACETIC ACID
Name[5-(3,4-DIMETHOXYPHENYL)-4-OXOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]ACETIC ACID
pro_formulaC16 H14 N2 O5 S
1Identification
【Name】
[5-(3,4-DIMETHOXYPHENYL)-4-OXOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]ACETIC ACID
【CAS】
【MDL】
MFCD03016034
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H14 N2 O5 S
【pro_molWeight】
346.362
【Inchi】
InChI=1S/C16H14N2O5S/c1-22-11-4-3-9(5-12(11)23-2)10-7-24-15-14(10)16(21)18(8-17-15)6-13(19)20/h3-5,7-8H,6H2,1-2H3,(H,19,20)
【InChIKey】
InChIKey=KYZYRQGMIPYOAS-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)c2csc3c2c(=O)n(cn3)CC(=O)O
【MOL File】
[5-(3,4-DIMETHOXYPHE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[5-(3,4-DIMETHOXYPHENYL)-4-OXOTHIENO[2,3-D]PYRIMIDIN-3(4H)-YL]ACETIC ACID.cml