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

Systemtic Name: 5-butyl-4-oxidanyl-2-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one Openeye Name: 2-(4-benzyloxyphenyl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-butyl-4-hydroxy-2-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one IUPAC Name: 5-butyl-4-hydroxy-2-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one Traditional Name: 2-(4-benzoxyphenyl)-5-butyl-4-hydroxy-1H-pyrimidin-6-one Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2O3/c1-2-3-9-18-20(24)22-19(23-21(18)25)16-10-12-17(13-11-16)26-14-15-7-5-4-6-8-15/h4-8,10-13H,2-3,9,14H2,1H3,(H2,22,23,24,25)