ethyl 4-[(4-fluorophenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[(4-fluorophenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-fluorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[(4-fluorophenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-fluorophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[(4-fluorobenzyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15FN2O3S MolecularWeight: 322.354603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC2=CC=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C15H15FN2O3S/c1-3-21-14(19)12-9(2)17-15(20)18-13(12)22-8-10-4-6-11(16)7-5-10/h4-7H,3,8H2,1-2H3,(H,17,18,20)