[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C19H22FN3O3S MolecularWeight: 391.459683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C19H22FN3O3S/c1-12-16(13(2)23-19(22-12)27-3)8-9-18(25)26-11-17(24)21-10-14-4-6-15(20)7-5-14/h4-7H,8-11H2,1-3H3,(H,21,24)