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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CCCC(C)C

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)CCCC(C)C

InChI

InChI=1S/C26H40N2O/c1-5-6-7-8-12-23-19-27-26(28-20-23)24-13-15-25(16-14-24)29-18-17-22(4)11-9-10-21(2)3/h13-16,19-22H,5-12,17-18H2,1-4H3