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

Systemtic Name: 6-(3-fluoranyl-2-oxidanyl-phenyl)-3-hexyl-2-methyl-5-phenethyl-pyrimidin-4-one Openeye Name: 6-(3-fluoro-2-hydroxy-phenyl)-3-hexyl-2-methyl-5-phenethyl-pyrimidin-4-one CAS Name: 6-(3-fluoro-2-hydroxyphenyl)-3-hexyl-2-methyl-5-phenethyl-4-pyrimidinone IUPAC Name: 6-(3-fluoro-2-hydroxyphenyl)-3-hexyl-2-methyl-5-phenethylpyrimidin-4-one Traditional Name: 6-(3-fluoro-2-hydroxy-phenyl)-3-hexyl-2-methyl-5-phenethyl-pyrimidin-4-one Formula: C25H29FN2O2 MolecularWeight: 408.508363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NC(=C(C1=O)CCC2=CC=CC=C2)C3=C(C(=CC=C3)F)O)C

Isomeric SMILES

CCCCCCN1C(=NC(=C(C1=O)CCC2=CC=CC=C2)C3=C(C(=CC=C3)F)O)C

InChI

InChI=1S/C25H29FN2O2/c1-3-4-5-9-17-28-18(2)27-23(20-13-10-14-22(26)24(20)29)21(25(28)30)16-15-19-11-7-6-8-12-19/h6-8,10-14,29H,3-5,9,15-17H2,1-2H3