2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methylthio]-6-propyl-1H-pyrimidin-4-one Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=NOC(=C2C)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=NOC(=C2C)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O2S/c1-3-4-14-9-16(23)21-18(20-14)25-10-15-11(2)17(24-22-15)12-5-7-13(19)8-6-12/h5-9H,3-4,10H2,1-2H3,(H,20,21,23)