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

Systemtic Name: 6-(3-fluoranyl-2-oxidanyl-phenyl)-3-heptyl-2-methyl-5-phenethyl-pyrimidin-4-one Openeye Name: 6-(3-fluoro-2-hydroxy-phenyl)-3-heptyl-2-methyl-5-phenethyl-pyrimidin-4-one CAS Name: 6-(3-fluoro-2-hydroxyphenyl)-3-heptyl-2-methyl-5-phenethyl-4-pyrimidinone IUPAC Name: 6-(3-fluoro-2-hydroxyphenyl)-3-heptyl-2-methyl-5-phenethylpyrimidin-4-one Traditional Name: 6-(3-fluoro-2-hydroxy-phenyl)-3-heptyl-2-methyl-5-phenethyl-pyrimidin-4-one Formula: C26H31FN2O2 MolecularWeight: 422.534943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC(=C(C1=O)CCC2=CC=CC=C2)C3=C(C(=CC=C3)F)O)C

Isomeric SMILES

CCCCCCCN1C(=NC(=C(C1=O)CCC2=CC=CC=C2)C3=C(C(=CC=C3)F)O)C

InChI

InChI=1S/C26H31FN2O2/c1-3-4-5-6-10-18-29-19(2)28-24(21-14-11-15-23(27)25(21)30)22(26(29)31)17-16-20-12-8-7-9-13-20/h7-9,11-15,30H,3-6,10,16-18H2,1-2H3