4-[2-(3,7-dimethyloctoxy)phenyl]-5-hexyl-pyrimidine

Systemtic Name: 4-[2-(3,7-dimethyloctoxy)phenyl]-5-hexyl-pyrimidine Openeye Name: 4-[2-(3,7-dimethyloctoxy)phenyl]-5-hexyl-pyrimidine CAS Name: 4-[2-(3,7-dimethyloctoxy)phenyl]-5-hexylpyrimidine IUPAC Name: 4-[2-(3,7-dimethyloctoxy)phenyl]-5-hexylpyrimidine Traditional Name: 4-[2-(3,7-dimethyloctoxy)phenyl]-5-hexyl-pyrimidine Formula: C26H40N2O MolecularWeight: 396.6086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=CN=C1C2=CC=CC=C2OCCC(C)CCCC(C)C

Isomeric SMILES

CCCCCCC1=CN=CN=C1C2=CC=CC=C2OCCC(C)CCCC(C)C

InChI

InChI=1S/C26H40N2O/c1-5-6-7-8-14-23-19-27-20-28-26(23)24-15-9-10-16-25(24)29-18-17-22(4)13-11-12-21(2)3/h9-10,15-16,19-22H,5-8,11-14,17-18H2,1-4H3