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

Systemtic Name: methyl 2-[5-[(3-fluorophenyl)methyl]-1,4-dimethyl-6-oxidanylidene-pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H17FN2O3S MolecularWeight: 336.381183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN2O3S/c1-10-13(8-11-5-4-6-12(17)7-11)15(21)19(2)16(18-10)23-9-14(20)22-3/h4-7H,8-9H2,1-3H3