108958-81-2
ETHYL 1,6-DIMETHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
NameETHYL 1,6-DIMETHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
1Identification
【Name】
ETHYL 1,6-DIMETHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
【CAS】
【MDL】
MFCD01112452
【English Synonyms】
【Formula】
C15 H18 N2 O2 S
【MolWeight】
290.385
【Inchi】
InChI=1S/C15H18N2O2S/c1-4-19-14(18)12-10(2)17(3)15(20)16-13(12)11-8-6-5-7-9-11/h5-9,13H,4H2,1-3H3,(H,16,20)
【InChIKey】
InChIKey=KPURGESNELLKCK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1=C(N(C(=S)NC1c2ccccc2)C)C
【MOL File】
ETHYL 1,6-DIMETHYL-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 1,6-DIMETHYL-4-PHENYL-2-THIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE.cml