1-[2-(4-hexylpyrimidin-2-yl)phenyl]-6-methyl-octan-1-one

Systemtic Name: 1-[2-(4-hexylpyrimidin-2-yl)phenyl]-6-methyl-octan-1-one Openeye Name: 1-[2-(4-hexylpyrimidin-2-yl)phenyl]-6-methyl-octan-1-one CAS Name: 1-[2-(4-hexyl-2-pyrimidinyl)phenyl]-6-methyl-1-octanone IUPAC Name: 1-[2-(4-hexylpyrimidin-2-yl)phenyl]-6-methyloctan-1-one Traditional Name: 1-[2-(4-hexylpyrimidin-2-yl)phenyl]-6-methyl-octan-1-one Formula: C25H36N2O MolecularWeight: 380.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC

Isomeric SMILES

CCCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)CCCCC(C)CC

InChI

InChI=1S/C25H36N2O/c1-4-6-7-8-14-21-18-19-26-25(27-21)23-16-11-10-15-22(23)24(28)17-12-9-13-20(3)5-2/h10-11,15-16,18-20H,4-9,12-14,17H2,1-3H3