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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC(=N1)C2=CC=CC=C2OCCCCC(C)CC

Isomeric SMILES

CCCC1=NC=CC(=N1)C2=CC=CC=C2OCCCCC(C)CC

InChI

InChI=1S/C21H30N2O/c1-4-10-21-22-15-14-19(23-21)18-12-6-7-13-20(18)24-16-9-8-11-17(3)5-2/h6-7,12-15,17H,4-5,8-11,16H2,1-3H3