2-(4-octan-2-yloxyphenyl)-5-propyl-pyrimidine

Systemtic Name: 2-(4-octan-2-yloxyphenyl)-5-propyl-pyrimidine Openeye Name: 2-[4-(1-methylheptoxy)phenyl]-5-propyl-pyrimidine CAS Name: 2-(4-octan-2-yloxyphenyl)-5-propylpyrimidine IUPAC Name: 2-(4-octan-2-yloxyphenyl)-5-propylpyrimidine Traditional Name: 2-[4-(1-methylheptoxy)phenyl]-5-propyl-pyrimidine Formula: C21H30N2O MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCC

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C2=NC=C(C=N2)CCC

InChI

InChI=1S/C21H30N2O/c1-4-6-7-8-10-17(3)24-20-13-11-19(12-14-20)21-22-15-18(9-5-2)16-23-21/h11-17H,4-10H2,1-3H3