ethyl 4-azanyl-2-[(3-fluorophenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(3-fluorophenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(3-fluorophenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(3-fluorophenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-fluorophenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(3-fluorobenzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H14FN3O2S MolecularWeight: 307.343263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=CC=C2)F

InChI

InChI=1S/C14H14FN3O2S/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)