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

Systemtic Name: methyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H16FN3O4S MolecularWeight: 365.379343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NCC2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NCC2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C16H16FN3O4S/c1-9-13(15(22)24-2)14(20-16(23)19-9)25-8-12(21)18-7-10-3-5-11(17)6-4-10/h3-6H,7-8H2,1-2H3,(H,18,21)(H,19,20,23)