2-[4-(6-chloranyl-4-methyl-octoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-(6-chloranyl-4-methyl-octoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(6-chloro-4-methyl-octoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(6-chloro-4-methyloctoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(6-chloro-4-methyloctoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(6-chloro-4-methyl-octoxy)phenyl]-5-octyl-pyrimidine Formula: C27H41ClN2O MolecularWeight: 445.08024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC(C)CC(CC)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCC(C)CC(CC)Cl

InChI

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