3-butyl-6-(3-fluoranyl-2-oxidanyl-phenyl)-2-methyl-5-phenethyl-pyrimidin-4-one

Systemtic Name: 3-butyl-6-(3-fluoranyl-2-oxidanyl-phenyl)-2-methyl-5-phenethyl-pyrimidin-4-one Openeye Name: 3-butyl-6-(3-fluoro-2-hydroxy-phenyl)-2-methyl-5-phenethyl-pyrimidin-4-one CAS Name: 3-butyl-6-(3-fluoro-2-hydroxyphenyl)-2-methyl-5-phenethyl-4-pyrimidinone IUPAC Name: 3-butyl-6-(3-fluoro-2-hydroxyphenyl)-2-methyl-5-phenethylpyrimidin-4-one Traditional Name: 3-butyl-6-(3-fluoro-2-hydroxy-phenyl)-2-methyl-5-phenethyl-pyrimidin-4-one Formula: C23H25FN2O2 MolecularWeight: 380.455203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC(=C(C1=O)CCC2=CC=CC=C2)C3=C(C(=CC=C3)F)O)C

Isomeric SMILES

CCCCN1C(=NC(=C(C1=O)CCC2=CC=CC=C2)C3=C(C(=CC=C3)F)O)C

InChI

InChI=1S/C23H25FN2O2/c1-3-4-15-26-16(2)25-21(18-11-8-12-20(24)22(18)27)19(23(26)28)14-13-17-9-6-5-7-10-17/h5-12,27H,3-4,13-15H2,1-2H3