3-heptyl-6-(2-hydroxyphenyl)-2-methyl-5-phenethyl-pyrimidin-4-one

Systemtic Name: 3-heptyl-6-(2-hydroxyphenyl)-2-methyl-5-phenethyl-pyrimidin-4-one Openeye Name: 3-heptyl-6-(2-hydroxyphenyl)-2-methyl-5-phenethyl-pyrimidin-4-one CAS Name: 3-heptyl-6-(2-hydroxyphenyl)-2-methyl-5-phenethyl-4-pyrimidinone IUPAC Name: 3-heptyl-6-(2-hydroxyphenyl)-2-methyl-5-phenethylpyrimidin-4-one Traditional Name: 3-heptyl-6-(2-hydroxyphenyl)-2-methyl-5-phenethyl-pyrimidin-4-one Formula: C26H32N2O2 MolecularWeight: 404.54448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC(=C(C1=O)CCC2=CC=CC=C2)C3=CC=CC=C3O)C

Isomeric SMILES

CCCCCCCN1C(=NC(=C(C1=O)CCC2=CC=CC=C2)C3=CC=CC=C3O)C

InChI

InChI=1S/C26H32N2O2/c1-3-4-5-6-12-19-28-20(2)27-25(22-15-10-11-16-24(22)29)23(26(28)30)18-17-21-13-8-7-9-14-21/h7-11,13-16,29H,3-6,12,17-19H2,1-2H3