5-(3-chloranyl-4-hexoxy-phenyl)-2-heptyl-pyrimidine

Systemtic Name: 5-(3-chloranyl-4-hexoxy-phenyl)-2-heptyl-pyrimidine Openeye Name: 5-(3-chloro-4-hexoxy-phenyl)-2-heptyl-pyrimidine CAS Name: 5-(3-chloro-4-hexoxyphenyl)-2-heptylpyrimidine IUPAC Name: 5-(3-chloro-4-hexoxyphenyl)-2-heptylpyrimidine Traditional Name: 5-(3-chloro-4-hexoxy-phenyl)-2-heptyl-pyrimidine Formula: C23H33ClN2O MolecularWeight: 388.97392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC=C(C=N1)C2=CC(=C(C=C2)OCCCCCC)Cl

Isomeric SMILES

CCCCCCCC1=NC=C(C=N1)C2=CC(=C(C=C2)OCCCCCC)Cl

InChI

InChI=1S/C23H33ClN2O/c1-3-5-7-9-10-12-23-25-17-20(18-26-23)19-13-14-22(21(24)16-19)27-15-11-8-6-4-2/h13-14,16-18H,3-12,15H2,1-2H3