4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C19H22FN5O2S MolecularWeight: 403.473683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H22FN5O2S/c1-13-11-14(2)22-18(21-13)28-12-17(26)24-7-9-25(10-8-24)19(27)23-16-5-3-15(20)4-6-16/h3-6,11H,7-10,12H2,1-2H3,(H,23,27)