573948-12-6
ETHYL 4-AMINO-2-[(3-CHLOROPHENYL)METHYLSULFANYL]PYRIMIDINE-5-CARBOXYLATE
NameETHYL 4-AMINO-2-[(3-CHLOROPHENYL)METHYLSULFANYL]PYRIMIDINE-5-CARBOXYLATE
FormulaC14 H14 Cl N3 O2 S
1Identification
【Name】
ETHYL 4-AMINO-2-[(3-CHLOROPHENYL)METHYLSULFANYL]PYRIMIDINE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD03856077
【English Synonyms】
【Formula】
C14 H14 Cl N3 O2 S
【MolWeight】
323.803
【Inchi】
InChI=1S/C14H14ClN3O2S/c1-2-20-13(19)11-7-17-14(18-12(11)16)21-8-9-4-3-5-10(15)6-9/h3-7H,2,8H2,1H3,(H2,16,17,18)
【InChIKey】
InChIKey=KEWPJNXOBFLTDO-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cnc(nc1N)SCc2cccc(c2)Cl
【MOL File】
ETHYL 4-AMINO-2-[(3-….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-[(3-CHLOROPHENYL)METHYLSULFANYL]PYRIMIDINE-5-CARBOXYLATE.cml