ethyl 1-(4-fluorophenyl)-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-(4-fluorophenyl)-2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(4-fluorophenyl)-2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H18FN3O5S MolecularWeight: 431.437423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)C2=CC=C(C=C2)F)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)C2=CC=C(C=C2)F)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H18FN3O5S/c1-2-28-19(27)16-11-23-20(24(18(16)26)14-7-5-13(21)6-8-14)30-12-17(25)22-10-15-4-3-9-29-15/h3-9,11H,2,10,12H2,1H3,(H,22,25)