tert-butyl 2-[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxo-2-pyrimidinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxopyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(3-fluorobenzyl)-6-keto-1,4-dimethyl-pyrimidin-2-yl]thio]acetic acid tert-butyl ester Formula: C19H23FN2O3S MolecularWeight: 378.460923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCC(=O)OC(C)(C)C)C)CC2=CC(=CC=C2)F

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCC(=O)OC(C)(C)C)C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C19H23FN2O3S/c1-12-15(10-13-7-6-8-14(20)9-13)17(24)22(5)18(21-12)26-11-16(23)25-19(2,3)4/h6-9H,10-11H2,1-5H3