5-(heptoxymethyl)-4-[2-(5-methylheptoxy)phenyl]pyrimidine

Systemtic Name: 5-(heptoxymethyl)-4-[2-(5-methylheptoxy)phenyl]pyrimidine Openeye Name: 5-(heptoxymethyl)-4-[2-(5-methylheptoxy)phenyl]pyrimidine CAS Name: 5-(heptoxymethyl)-4-[2-(5-methylheptoxy)phenyl]pyrimidine IUPAC Name: 5-(heptoxymethyl)-4-[2-(5-methylheptoxy)phenyl]pyrimidine Traditional Name: 5-(heptoxymethyl)-4-[2-(5-methylheptoxy)phenyl]pyrimidine Formula: C26H40N2O2 MolecularWeight: 412.608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC1=CN=CN=C1C2=CC=CC=C2OCCCCC(C)CC

Isomeric SMILES

CCCCCCCOCC1=CN=CN=C1C2=CC=CC=C2OCCCCC(C)CC

InChI

InChI=1S/C26H40N2O2/c1-4-6-7-8-12-17-29-20-23-19-27-21-28-26(23)24-15-9-10-16-25(24)30-18-13-11-14-22(3)5-2/h9-10,15-16,19,21-22H,4-8,11-14,17-18,20H2,1-3H3