2-[2-(3-methylpentoxy)phenyl]-4-pentyl-pyrimidine

Systemtic Name: 2-[2-(3-methylpentoxy)phenyl]-4-pentyl-pyrimidine Openeye Name: 2-[2-(3-methylpentoxy)phenyl]-4-pentyl-pyrimidine CAS Name: 2-[2-(3-methylpentoxy)phenyl]-4-pentylpyrimidine IUPAC Name: 2-[2-(3-methylpentoxy)phenyl]-4-pentylpyrimidine Traditional Name: 4-amyl-2-[2-(3-methylpentoxy)phenyl]pyrimidine Formula: C21H30N2O MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(C)CC

Isomeric SMILES

CCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(C)CC

InChI

InChI=1S/C21H30N2O/c1-4-6-7-10-18-13-15-22-21(23-18)19-11-8-9-12-20(19)24-16-14-17(3)5-2/h8-9,11-13,15,17H,4-7,10,14,16H2,1-3H3