6-[[2,6-bis(fluoranyl)phenyl]methyl]-5-methyl-2-(pyridin-4-ylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 6-[[2,6-bis(fluoranyl)phenyl]methyl]-5-methyl-2-(pyridin-4-ylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 6-[(2,6-difluorophenyl)methyl]-5-methyl-2-(4-pyridylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-[(2,6-difluorophenyl)methyl]-5-methyl-2-(pyridin-4-ylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[(2,6-difluorophenyl)methyl]-5-methyl-2-(pyridin-4-ylmethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-(2,6-difluorobenzyl)-5-methyl-2-(4-pyridylmethylthio)-1H-pyrimidin-4-one Formula: C18H15F2N3OS MolecularWeight: 359.393006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=NC=C2)CC3=C(C=CC=C3F)F

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=NC=C2)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C18H15F2N3OS/c1-11-16(9-13-14(19)3-2-4-15(13)20)22-18(23-17(11)24)25-10-12-5-7-21-8-6-12/h2-8H,9-10H2,1H3,(H,22,23,24)