2-[(2,5-dimethylphenyl)methyl]-5-octyl-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methyl]-5-octyl-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-4-hydroxy-5-octyl-1H-pyrimidin-6-one CAS Name: 2-[(2,5-dimethylphenyl)methyl]-4-hydroxy-5-octyl-1H-pyrimidin-6-one IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]-4-hydroxy-5-octyl-1H-pyrimidin-6-one Traditional Name: 2-(2,5-dimethylbenzyl)-4-hydroxy-5-octyl-1H-pyrimidin-6-one Formula: C21H30N2O2 MolecularWeight: 342.4751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(N=C(NC1=O)CC2=C(C=CC(=C2)C)C)O

Isomeric SMILES

CCCCCCCCC1=C(N=C(NC1=O)CC2=C(C=CC(=C2)C)C)O

InChI

InChI=1S/C21H30N2O2/c1-4-5-6-7-8-9-10-18-20(24)22-19(23-21(18)25)14-17-13-15(2)11-12-16(17)3/h11-13H,4-10,14H2,1-3H3,(H2,22,23,24,25)