139296-87-0
5-[2-(BENZYLOXY)ETHYL]-6-METHYL-2-(METHYLSULFANYL)-4(3H)-PYRIMIDINONE
Name5-[2-(BENZYLOXY)ETHYL]-6-METHYL-2-(METHYLSULFANYL)-4(3H)-PYRIMIDINONE
1Identification
【Name】
5-[2-(BENZYLOXY)ETHYL]-6-METHYL-2-(METHYLSULFANYL)-4(3H)-PYRIMIDINONE
【CAS】
【MDL】
MFCD01316127
【English Synonyms】
【Formula】
C15 H18 N2 O2 S
【MolWeight】
290.385
【Inchi】
InChI=1S/C15H18N2O2S/c1-11-13(14(18)17-15(16-11)20-2)8-9-19-10-12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3,(H,16,17,18)
【InChIKey】
InChIKey=IEDCTDRDSDUVBW-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)[nH]c(n1)SC)CCOCc2ccccc2
【MOL File】
5-[2-(BENZYLOXY)ETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-[2-(BENZYLOXY)ETHYL]-6-METHYL-2-(METHYLSULFANYL)-4(3H)-PYRIMIDINONE.cml