108123-25-7
ETHYL 4-(4-METHOXYANILINO)-2-METHYLSULFANYLPYRIMIDINE-5-CARBOXYLATE
NameETHYL 4-(4-METHOXYANILINO)-2-METHYLSULFANYLPYRIMIDINE-5-CARBOXYLATE
1Identification
【Name】
ETHYL 4-(4-METHOXYANILINO)-2-METHYLSULFANYLPYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD00300749
【English Synonyms】
【Formula】
C15 H17 N3 O3 S
【MolWeight】
319.383
【Inchi】
InChI=1S/C15H17N3O3S/c1-4-21-14(19)12-9-16-15(22-3)18-13(12)17-10-5-7-11(20-2)8-6-10/h5-9H,4H2,1-3H3,(H,16,17,18)
【InChIKey】
InChIKey=HYWKNVJGIGCQKX-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1Nc2ccc(cc2)OC)SC
【MOL File】
ETHYL 4-(4-METHOXYAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-(4-METHOXYANILINO)-2-METHYLSULFANYLPYRIMIDINE-5-CARBOXYLATE.cml