2-(4-decylphenyl)-5-heptoxy-pyrimidine; pyrimidine

Systemtic Name: 2-(4-decylphenyl)-5-heptoxy-pyrimidine; pyrimidine Openeye Name: 2-(4-decylphenyl)-5-heptoxy-pyrimidine; pyrimidine CAS Name: 2-(4-decylphenyl)-5-heptoxypyrimidine; pyrimidine IUPAC Name: 2-(4-decylphenyl)-5-heptoxypyrimidine; pyrimidine Traditional Name: 2-(4-decylphenyl)-5-heptoxy-pyrimidine; pyrimidine Formula: C31H46N4O MolecularWeight: 490.72314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCC.C1=CN=CN=C1

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCC.C1=CN=CN=C1

InChI

InChI=1S/C27H42N2O.C4H4N2/c1-3-5-7-9-10-11-12-14-16-24-17-19-25(20-18-24)27-28-22-26(23-29-27)30-21-15-13-8-6-4-2;1-2-5-4-6-3-1/h17-20,22-23H,3-16,21H2,1-2H3;1-4H