5-(3-methylbutyl)-4-oxidanyl-2-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one

Systemtic Name: 5-(3-methylbutyl)-4-oxidanyl-2-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one Openeye Name: 2-(4-benzyloxyphenyl)-4-hydroxy-5-isopentyl-1H-pyrimidin-6-one CAS Name: 4-hydroxy-5-(3-methylbutyl)-2-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one IUPAC Name: 4-hydroxy-5-(3-methylbutyl)-2-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one Traditional Name: 2-(4-benzoxyphenyl)-4-hydroxy-5-isoamyl-1H-pyrimidin-6-one Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N=C(NC1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)CCC1=C(N=C(NC1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C22H24N2O3/c1-15(2)8-13-19-21(25)23-20(24-22(19)26)17-9-11-18(12-10-17)27-14-16-6-4-3-5-7-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H2,23,24,25,26)