7149-61-3
ETHYL 4-AMINO-2-[(2-CHLOROPHENYL)METHYLSULFANYL]PYRIMIDINE-5-CARBOXYLATE
NameETHYL 4-AMINO-2-[(2-CHLOROPHENYL)METHYLSULFANYL]PYRIMIDINE-5-CARBOXYLATE
FormulaC14 H14 Cl N3 O2 S
1Identification
【Name】
ETHYL 4-AMINO-2-[(2-CHLOROPHENYL)METHYLSULFANYL]PYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD03830345
【English Synonyms】
【Formula】
C14 H14 Cl N3 O2 S
【MolWeight】
323.803
【Inchi】
InChI=1S/C14H14ClN3O2S/c1-2-20-13(19)10-7-17-14(18-12(10)16)21-8-9-5-3-4-6-11(9)15/h3-7H,2,8H2,1H3,(H2,16,17,18)
【InChIKey】
InChIKey=HUCQZFLGJWTXOM-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1N)SCc2ccccc2Cl
【MOL File】
ETHYL 4-AMINO-2-[(2-….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-AMINO-2-[(2-CHLOROPHENYL)METHYLSULFANYL]PYRIMIDINE-5-CARBOXYLATE.cml