2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-[(2-methylpyrimidin-5-yl)methyl]pyrimidin-4-one

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-[(2-methylpyrimidin-5-yl)methyl]pyrimidin-4-one Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-[(2-methylpyrimidin-5-yl)methyl]pyrimidin-4-one CAS Name: 2-[(4-fluorophenyl)methylthio]-1-methyl-5-[(2-methyl-5-pyrimidinyl)methyl]-4-pyrimidinone IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-methyl-5-[(2-methylpyrimidin-5-yl)methyl]pyrimidin-4-one Traditional Name: 2-[(4-fluorobenzyl)thio]-1-methyl-5-[(2-methylpyrimidin-5-yl)methyl]pyrimidin-4-one Formula: C18H17FN4OS MolecularWeight: 356.417183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=NC=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H17FN4OS/c1-12-20-8-14(9-21-12)7-15-10-23(2)18(22-17(15)24)25-11-13-3-5-16(19)6-4-13/h3-6,8-10H,7,11H2,1-2H3