2-(2-heptoxyphenyl)-5-octyl-pyrimidine

Systemtic Name: 2-(2-heptoxyphenyl)-5-octyl-pyrimidine Openeye Name: 2-(2-heptoxyphenyl)-5-octyl-pyrimidine CAS Name: 2-(2-heptoxyphenyl)-5-octylpyrimidine IUPAC Name: 2-(2-heptoxyphenyl)-5-octylpyrimidine Traditional Name: 2-(2-heptoxyphenyl)-5-octyl-pyrimidine Formula: C25H38N2O MolecularWeight: 382.58202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OCCCCCCC

InChI

InChI=1S/C25H38N2O/c1-3-5-7-9-10-12-16-22-20-26-25(27-21-22)23-17-13-14-18-24(23)28-19-15-11-8-6-4-2/h13-14,17-18,20-21H,3-12,15-16,19H2,1-2H3