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

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H18FN3O4S MolecularWeight: 379.405923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NCC2=CC=C(C=C2)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NCC2=CC=C(C=C2)F)C

InChI

InChI=1S/C17H18FN3O4S/c1-3-25-16(23)14-10(2)20-17(24)21-15(14)26-9-13(22)19-8-11-4-6-12(18)7-5-11/h4-7H,3,8-9H2,1-2H3,(H,19,22)(H,20,21,24)