5-[2-(4-ethylcyclohexyl)ethyl]-4-(2-heptoxyphenyl)pyrimidine

Systemtic Name: 5-[2-(4-ethylcyclohexyl)ethyl]-4-(2-heptoxyphenyl)pyrimidine Openeye Name: 5-[2-(4-ethylcyclohexyl)ethyl]-4-(2-heptoxyphenyl)pyrimidine CAS Name: 5-[2-(4-ethylcyclohexyl)ethyl]-4-(2-heptoxyphenyl)pyrimidine IUPAC Name: 5-[2-(4-ethylcyclohexyl)ethyl]-4-(2-heptoxyphenyl)pyrimidine Traditional Name: 5-[2-(4-ethylcyclohexyl)ethyl]-4-(2-heptoxyphenyl)pyrimidine Formula: C27H40N2O MolecularWeight: 408.6193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1C2=NC=NC=C2CCC3CCC(CC3)CC

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1C2=NC=NC=C2CCC3CCC(CC3)CC

InChI

InChI=1S/C27H40N2O/c1-3-5-6-7-10-19-30-26-12-9-8-11-25(26)27-24(20-28-21-29-27)18-17-23-15-13-22(4-2)14-16-23/h8-9,11-12,20-23H,3-7,10,13-19H2,1-2H3