2-[2-(3-chloranylpentoxy)phenyl]-4-dodecyl-pyrimidine

Systemtic Name: 2-[2-(3-chloranylpentoxy)phenyl]-4-dodecyl-pyrimidine Openeye Name: 2-[2-(3-chloropentoxy)phenyl]-4-dodecyl-pyrimidine CAS Name: 2-[2-(3-chloropentoxy)phenyl]-4-dodecylpyrimidine IUPAC Name: 2-[2-(3-chloropentoxy)phenyl]-4-dodecylpyrimidine Traditional Name: 2-[2-(3-chloropentoxy)phenyl]-4-lauryl-pyrimidine Formula: C27H41ClN2O MolecularWeight: 445.08024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)Cl

Isomeric SMILES

CCCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)Cl

InChI

InChI=1S/C27H41ClN2O/c1-3-5-6-7-8-9-10-11-12-13-16-24-19-21-29-27(30-24)25-17-14-15-18-26(25)31-22-20-23(28)4-2/h14-15,17-19,21,23H,3-13,16,20,22H2,1-2H3