51646-43-6
2-BENZYLSULFANYL-7-HYDROXY-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER
Name2-BENZYLSULFANYL-7-HYDROXY-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
2-BENZYLSULFANYL-7-HYDROXY-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD00177463
【English Synonyms】
【Formula】
C15 H14 N4 O3 S
【MolWeight】
330.367
【Inchi】
InChI=1S/C15H14N4O3S/c1-2-22-13(21)11-8-16-14-17-15(18-19(14)12(11)20)23-9-10-6-4-3-5-7-10/h3-8,20H,2,9H2,1H3
【InChIKey】
InChIKey=IZDKRKUQUURRKZ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc2nc(nn2c1O)SCc3ccccc3
【MOL File】
2-BENZYLSULFANYL-7-H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BENZYLSULFANYL-7-HYDROXY-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER.cml