2-[4-(3-chloranylbutoxy)phenyl]-5-undecyl-pyrimidine

Systemtic Name: 2-[4-(3-chloranylbutoxy)phenyl]-5-undecyl-pyrimidine Openeye Name: 2-[4-(3-chlorobutoxy)phenyl]-5-undecyl-pyrimidine CAS Name: 2-[4-(3-chlorobutoxy)phenyl]-5-undecylpyrimidine IUPAC Name: 2-[4-(3-chlorobutoxy)phenyl]-5-undecylpyrimidine Traditional Name: 2-[4-(3-chlorobutoxy)phenyl]-5-undecyl-pyrimidine Formula: C25H37ClN2O MolecularWeight: 417.02708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)Cl

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)Cl

InChI

InChI=1S/C25H37ClN2O/c1-3-4-5-6-7-8-9-10-11-12-22-19-27-25(28-20-22)23-13-15-24(16-14-23)29-18-17-21(2)26/h13-16,19-21H,3-12,17-18H2,1-2H3