ethyl 6-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3,4-difluorophenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3,4-difluorophenyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3,4-difluorophenyl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3,4-difluorophenyl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H14F2N2O3S MolecularWeight: 328.334366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=CC(=C(C=C2)F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C14H14F2N2O3S/c1-2-21-13(19)9-6-17-14(20)18-12(9)7-22-8-3-4-10(15)11(16)5-8/h3-5H,2,6-7H2,1H3,(H2,17,18,20)