2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-5-[(2-methoxypyrimidin-5-yl)methyl]-1-phenethyl-pyrimidin-4-one

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-5-[(2-methoxypyrimidin-5-yl)methyl]-1-phenethyl-pyrimidin-4-one Openeye Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-5-[(2-methoxypyrimidin-5-yl)methyl]-1-phenethyl-pyrimidin-4-one CAS Name: 2-[(3,4-difluorophenyl)methylthio]-5-[(2-methoxy-5-pyrimidinyl)methyl]-1-phenethyl-4-pyrimidinone IUPAC Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-5-[(2-methoxypyrimidin-5-yl)methyl]-1-phenethylpyrimidin-4-one Traditional Name: 2-[(3,4-difluorobenzyl)thio]-5-[(2-methoxypyrimidin-5-yl)methyl]-1-phenethyl-pyrimidin-4-one Formula: C25H22F2N4O2S MolecularWeight: 480.529586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC(=C(C=C3)F)F)CCC4=CC=CC=C4

Isomeric SMILES

COC1=NC=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC(=C(C=C3)F)F)CCC4=CC=CC=C4

InChI

InChI=1S/C25H22F2N4O2S/c1-33-24-28-13-19(14-29-24)11-20-15-31(10-9-17-5-3-2-4-6-17)25(30-23(20)32)34-16-18-7-8-21(26)22(27)12-18/h2-8,12-15H,9-11,16H2,1H3