108123-22-4
ETHYL 4-(4-METHYLANILINO)-2-METHYLSULFANYLPYRIMIDINE-5-CARBOXYLATE
NameETHYL 4-(4-METHYLANILINO)-2-METHYLSULFANYLPYRIMIDINE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 4-(4-METHYLANILINO)-2-METHYLSULFANYLPYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD00299834
【English Synonyms】
【Formula】
C15 H17 N3 O2 S
【MolWeight】
303.384
【Inchi】
InChI=1S/C15H17N3O2S/c1-4-20-14(19)12-9-16-15(21-3)18-13(12)17-11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3,(H,16,17,18)
【InChIKey】
InChIKey=WWSLLMKEKXBXIU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1Nc2ccc(cc2)C)SC
【MOL File】
ETHYL 4-(4-METHYLANI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-(4-METHYLANILINO)-2-METHYLSULFANYLPYRIMIDINE-5-CARBOXYLATE.cml