5-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[2-(4-acetyl-1-piperazinyl)-2-oxoethyl]-2-[(4-fluorophenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-[2-(4-acetylpiperazino)-2-keto-ethyl]-2-[(4-fluorobenzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C20H23FN4O3S MolecularWeight: 418.485023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H23FN4O3S/c1-13-17(11-18(27)25-9-7-24(8-10-25)14(2)26)19(28)23-20(22-13)29-12-15-3-5-16(21)6-4-15/h3-6H,7-12H2,1-2H3,(H,22,23,28)