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6-methyl-1-[2-(2-propylpyrimidin-4-yl)phenyl]octan-1-one; oxane

6-methyl-1-[2-(2-propylpyrimidin-4-yl)phenyl]octan-1-one; oxane

Systemtic Name:6-methyl-1-[2-(2-propylpyrimidin-4-yl)phenyl]octan-1-one; oxane
Openeye Name:6-methyl-1-[2-(2-propylpyrimidin-4-yl)phenyl]octan-1-one; tetrahydropyran
CAS Name:6-methyl-1-[2-(2-propyl-4-pyrimidinyl)phenyl]-1-octanone; oxane
IUPAC Name:6-methyl-1-[2-(2-propylpyrimidin-4-yl)phenyl]octan-1-one; oxane
Traditional Name:6-methyl-1-[2-(2-propylpyrimidin-4-yl)phenyl]octan-1-one; tetrahydropyran
Formula: C27H40N2O2
MolecularWeight: 424.6187
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC(=N1)C2=CC=CC=C2C(=O)CCCCC(C)CC.C1CCOCC1


Isomeric SMILES

CCCC1=NC=CC(=N1)C2=CC=CC=C2C(=O)CCCCC(C)CC.C1CCOCC1


InChI

InChI=1S/C22H30N2O.C5H10O/c1-4-10-22-23-16-15-20(24-22)18-12-7-8-13-19(18)21(25)14-9-6-11-17(3)5-2;1-2-4-6-5-3-1/h7-8,12-13,15-17H,4-6,9-11,14H2,1-3H3;1-5H2


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