5-hexyl-4-oxidanyl-2-[2-(4-pentylphenyl)phenyl]-1H-pyrimidin-6-one

Systemtic Name: 5-hexyl-4-oxidanyl-2-[2-(4-pentylphenyl)phenyl]-1H-pyrimidin-6-one Openeye Name: 5-hexyl-4-hydroxy-2-[2-(4-pentylphenyl)phenyl]-1H-pyrimidin-6-one CAS Name: 5-hexyl-4-hydroxy-2-[2-(4-pentylphenyl)phenyl]-1H-pyrimidin-6-one IUPAC Name: 5-hexyl-4-hydroxy-2-[2-(4-pentylphenyl)phenyl]-1H-pyrimidin-6-one Traditional Name: 2-[2-(4-amylphenyl)phenyl]-5-hexyl-4-hydroxy-1H-pyrimidin-6-one Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N=C(NC1=O)C2=CC=CC=C2C3=CC=C(C=C3)CCCCC)O

Isomeric SMILES

CCCCCCC1=C(N=C(NC1=O)C2=CC=CC=C2C3=CC=C(C=C3)CCCCC)O

InChI

InChI=1S/C27H34N2O2/c1-3-5-7-9-15-24-26(30)28-25(29-27(24)31)23-14-11-10-13-22(23)21-18-16-20(17-19-21)12-8-6-4-2/h10-11,13-14,16-19H,3-9,12,15H2,1-2H3,(H2,28,29,30,31)