methyl 4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H18FN3O4S MolecularWeight: 379.405923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NCCC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NCCC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C17H18FN3O4S/c1-10-14(16(23)25-2)15(21-17(24)20-10)26-9-13(22)19-8-7-11-3-5-12(18)6-4-11/h3-6H,7-9H2,1-2H3,(H,19,22)(H,20,21,24)