4-chloranyl-2-(4-octoxyphenyl)-5-phenylmethoxy-pyrimidine

Systemtic Name: 4-chloranyl-2-(4-octoxyphenyl)-5-phenylmethoxy-pyrimidine Openeye Name: 5-benzyloxy-4-chloro-2-(4-octoxyphenyl)pyrimidine CAS Name: 4-chloro-2-(4-octoxyphenyl)-5-phenylmethoxypyrimidine IUPAC Name: 4-chloro-2-(4-octoxyphenyl)-5-phenylmethoxypyrimidine Traditional Name: 5-benzoxy-4-chloro-2-(4-octoxyphenyl)pyrimidine Formula: C25H29ClN2O2 MolecularWeight: 424.96296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C25H29ClN2O2/c1-2-3-4-5-6-10-17-29-22-15-13-21(14-16-22)25-27-18-23(24(26)28-25)30-19-20-11-8-7-9-12-20/h7-9,11-16,18H,2-6,10,17,19H2,1H3