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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-5-[2-[(4-methoxyphenyl)methylthio]ethyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-5-[2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-6-methyl-5-[2-(p-anisylthio)ethyl]-1H-pyrimidin-4-one Formula: C22H23FN2O2S2 MolecularWeight: 430.558623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CCSCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)CCSCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23FN2O2S2/c1-15-20(11-12-28-13-16-5-9-19(27-2)10-6-16)21(26)25-22(24-15)29-14-17-3-7-18(23)8-4-17/h3-10H,11-14H2,1-2H3,(H,24,25,26)