573670-03-8
3-ETHYL-5,6-DIMETHYL-2-((4-METHYLBENZYL)THIO)THIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
Name3-ETHYL-5,6-DIMETHYL-2-((4-METHYLBENZYL)THIO)THIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
1Identification
【Name】
3-ETHYL-5,6-DIMETHYL-2-((4-METHYLBENZYL)THIO)THIENO(2,3-D)PYRIMIDIN-4(3H)-ONE
【CAS】
【MDL】
MFCD04017419
【English Synonyms】
【Formula】
C18 H20 N2 O S2
【MolWeight】
344.501
【Inchi】
InChI=1S/C18H20N2OS2/c1-5-20-17(21)15-12(3)13(4)23-16(15)19-18(20)22-10-14-8-6-11(2)7-9-14/h6-9H,5,10H2,1-4H3
【InChIKey】
InChIKey=PHWSEIMAYZGTML-UHFFFAOYSA-N
【SMILES】
CCn1c(=O)c2c(c(sc2nc1SCc3ccc(cc3)C)C)C
【MOL File】
3-ETHYL-5,6-DIMETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ETHYL-5,6-DIMETHYL-2-((4-METHYLBENZYL)THIO)THIENO(2,3-D)PYRIMIDIN-4(3H)-ONE.cml