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

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-1-(furan-2-ylmethyl)-5-[(2-methoxypyrimidin-5-yl)methyl]pyrimidin-4-one Openeye Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-1-(2-furylmethyl)-5-[(2-methoxypyrimidin-5-yl)methyl]pyrimidin-4-one CAS Name: 2-[(3,4-difluorophenyl)methylthio]-1-(2-furanylmethyl)-5-[(2-methoxy-5-pyrimidinyl)methyl]-4-pyrimidinone IUPAC Name: 2-[(3,4-difluorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)-5-[(2-methoxypyrimidin-5-yl)methyl]pyrimidin-4-one Traditional Name: 2-[(3,4-difluorobenzyl)thio]-1-(2-furfuryl)-5-[(2-methoxypyrimidin-5-yl)methyl]pyrimidin-4-one Formula: C22H18F2N4O3S MolecularWeight: 456.465126

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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)CC4=CC=CO4

Isomeric SMILES

COC1=NC=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC(=C(C=C3)F)F)CC4=CC=CO4

InChI

InChI=1S/C22H18F2N4O3S/c1-30-21-25-9-15(10-26-21)7-16-11-28(12-17-3-2-6-31-17)22(27-20(16)29)32-13-14-4-5-18(23)19(24)8-14/h2-6,8-11H,7,12-13H2,1H3