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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-6-methyl-5-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C22H23FN6O2S MolecularWeight: 454.520423

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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)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H23FN6O2S/c1-15-18(20(31)27-22(26-15)32-14-16-3-5-17(23)6-4-16)13-19(30)28-9-11-29(12-10-28)21-24-7-2-8-25-21/h2-8H,9-14H2,1H3,(H,26,27,31)