2-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-5-pentoxy-pyrimidine

Systemtic Name: 2-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-5-pentoxy-pyrimidine Openeye Name: 2-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-5-pentoxy-pyrimidine CAS Name: 2-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-5-pentoxypyrimidine IUPAC Name: 2-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-5-pentoxypyrimidine Traditional Name: 5-amoxy-2-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]pyrimidine Formula: C25H32N2O MolecularWeight: 376.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)CC

Isomeric SMILES

CCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)CC

InChI

InChI=1S/C25H32N2O/c1-3-5-6-17-28-24-18-26-25(27-19-24)16-11-21-9-14-23(15-10-21)22-12-7-20(4-2)8-13-22/h9-10,14-15,18-20,22H,3-8,12-13,17H2,1-2H3