2-[4-(6-methyloctoxy)phenyl]-5-octyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[4-(6-methyloctoxy)phenyl]-5-octyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 4-hydroxy-2-[4-(6-methyloctoxy)phenyl]-5-octyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-2-[4-(6-methyloctoxy)phenyl]-5-octyl-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-2-[4-(6-methyloctoxy)phenyl]-5-octyl-1H-pyrimidin-6-one Traditional Name: 4-hydroxy-2-[4-(6-methyloctoxy)phenyl]-5-octyl-1H-pyrimidin-6-one Formula: C27H42N2O3 MolecularWeight: 442.63398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N=C(NC1=O)C2=CC=C(C=C2)OCCCCCC(C)CC)O

Isomeric SMILES

CCCCCCCCC1=C(N=C(NC1=O)C2=CC=C(C=C2)OCCCCCC(C)CC)O

InChI

InChI=1S/C27H42N2O3/c1-4-6-7-8-9-12-15-24-26(30)28-25(29-27(24)31)22-16-18-23(19-17-22)32-20-13-10-11-14-21(3)5-2/h16-19,21H,4-15,20H2,1-3H3,(H2,28,29,30,31)