5-[4-(6-methyloctoxy)phenyl]-2-octoxy-pyrimidine

Systemtic Name: 5-[4-(6-methyloctoxy)phenyl]-2-octoxy-pyrimidine Openeye Name: 5-[4-(6-methyloctoxy)phenyl]-2-octoxy-pyrimidine CAS Name: 5-[4-(6-methyloctoxy)phenyl]-2-octoxypyrimidine IUPAC Name: 5-[4-(6-methyloctoxy)phenyl]-2-octoxypyrimidine Traditional Name: 5-[4-(6-methyloctoxy)phenyl]-2-octoxy-pyrimidine Formula: C27H42N2O2 MolecularWeight: 426.63458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC

InChI

InChI=1S/C27H42N2O2/c1-4-6-7-8-9-12-20-31-27-28-21-25(22-29-27)24-15-17-26(18-16-24)30-19-13-10-11-14-23(3)5-2/h15-18,21-23H,4-14,19-20H2,1-3H3