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5-ethoxy-2-(2-methyloctoxy)-4-phenyl-pyrimidine; 2-methyloxane

5-ethoxy-2-(2-methyloctoxy)-4-phenyl-pyrimidine; 2-methyloxane

Systemtic Name:5-ethoxy-2-(2-methyloctoxy)-4-phenyl-pyrimidine; 2-methyloxane
Openeye Name:5-ethoxy-2-(2-methyloctoxy)-4-phenyl-pyrimidine; 2-methyltetrahydropyran
CAS Name:5-ethoxy-2-(2-methyloctoxy)-4-phenylpyrimidine; 2-methyloxane
IUPAC Name:5-ethoxy-2-(2-methyloctoxy)-4-phenylpyrimidine; 2-methyloxane
Traditional Name:5-ethoxy-2-(2-methyloctoxy)-4-phenyl-pyrimidine; 2-methyltetrahydropyran
Formula: C27H42N2O3
MolecularWeight: 442.63398
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)COC1=NC=C(C(=N1)C2=CC=CC=C2)OCC.CC1CCCCO1


Isomeric SMILES

CCCCCCC(C)COC1=NC=C(C(=N1)C2=CC=CC=C2)OCC.CC1CCCCO1


InChI

InChI=1S/C21H30N2O2.C6H12O/c1-4-6-7-9-12-17(3)16-25-21-22-15-19(24-5-2)20(23-21)18-13-10-8-11-14-18;1-6-4-2-3-5-7-6/h8,10-11,13-15,17H,4-7,9,12,16H2,1-3H3;6H,2-5H2,1H3


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