ethyl 6-azanylidene-1-[2,4-bis(fluoranyl)phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl 6-azanylidene-1-[2,4-bis(fluoranyl)phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 1-(2,4-difluorophenyl)-6-imino-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 1-(2,4-difluorophenyl)-6-imino-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-difluorophenyl)-6-imino-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 1-(2,4-difluorophenyl)-6-imino-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C13H13F2N3O2S MolecularWeight: 313.323026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CNC(=S)N(C1=N)C2=C(C=C(C=C2)F)F

Isomeric SMILES

CCOC(=O)C1CNC(=S)N(C1=N)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C13H13F2N3O2S/c1-2-20-12(19)8-6-17-13(21)18(11(8)16)10-4-3-7(14)5-9(10)15/h3-5,8,16H,2,6H2,1H3,(H,17,21)