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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCCCCC)Cl

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCCCCC)Cl

InChI

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