ethyl 4-azanyl-2-[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15F2N3O3S MolecularWeight: 367.370406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F2N3O3S/c1-3-24-15(23)10-7-20-16(21-14(10)19)25-8(2)13(22)9-4-5-11(17)12(18)6-9/h4-8H,3H2,1-2H3,(H2,19,20,21)