5-(2-butoxypropoxy)-2-(4-heptoxyphenyl)pyrimidine; pyrimidine

Systemtic Name: 5-(2-butoxypropoxy)-2-(4-heptoxyphenyl)pyrimidine; pyrimidine Openeye Name: 5-(2-butoxypropoxy)-2-(4-heptoxyphenyl)pyrimidine; pyrimidine CAS Name: 5-(2-butoxypropoxy)-2-(4-heptoxyphenyl)pyrimidine; pyrimidine IUPAC Name: 5-(2-butoxypropoxy)-2-(4-heptoxyphenyl)pyrimidine; pyrimidine Traditional Name: 5-(2-butoxypropoxy)-2-(4-heptoxyphenyl)pyrimidine; pyrimidine Formula: C28H40N4O3 MolecularWeight: 480.6422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OCCCC.C1=CN=CN=C1

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C)OCCCC.C1=CN=CN=C1

InChI

InChI=1S/C24H36N2O3.C4H4N2/c1-4-6-8-9-10-16-28-22-13-11-21(12-14-22)24-25-17-23(18-26-24)29-19-20(3)27-15-7-5-2;1-2-5-4-6-3-1/h11-14,17-18,20H,4-10,15-16,19H2,1-3H3;1-4H