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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-6-methyl-5-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-5-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-6-methyl-1H-pyrimidin-4-one Formula: C23H24FN5O2S MolecularWeight: 453.532363

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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=CC=CC=N4

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN5O2S/c1-16-19(22(31)27-23(26-16)32-15-17-5-7-18(24)8-6-17)14-21(30)29-12-10-28(11-13-29)20-4-2-3-9-25-20/h2-9H,10-15H2,1H3,(H,26,27,31)