methyl 2-[2,6-bis(fluoranyl)phenyl]-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[2,6-bis(fluoranyl)phenyl]-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 2-(2,6-difluorophenyl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(2,6-difluorophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,6-difluorophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 2-(2,6-difluorophenyl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H10F2N2O2S MolecularWeight: 296.292506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)C2=C(C=CC=C2F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=S)N=C(N1)C2=C(C=CC=C2F)F)C(=O)OC

InChI

InChI=1S/C13H10F2N2O2S/c1-6-9(13(18)19-2)12(20)17-11(16-6)10-7(14)4-3-5-8(10)15/h3-5H,1-2H3,(H,16,17,20)