2-(2-chloranyl-4-heptyl-phenyl)-5-pentyl-pyrimidine

Systemtic Name: 2-(2-chloranyl-4-heptyl-phenyl)-5-pentyl-pyrimidine Openeye Name: 2-(2-chloro-4-heptyl-phenyl)-5-pentyl-pyrimidine CAS Name: 2-(2-chloro-4-heptylphenyl)-5-pentylpyrimidine IUPAC Name: 2-(2-chloro-4-heptylphenyl)-5-pentylpyrimidine Traditional Name: 5-amyl-2-(2-chloro-4-heptyl-phenyl)pyrimidine Formula: C22H31ClN2 MolecularWeight: 358.94794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=NC=C(C=N2)CCCCC)Cl

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=NC=C(C=N2)CCCCC)Cl

InChI

InChI=1S/C22H31ClN2/c1-3-5-7-8-10-11-18-13-14-20(21(23)15-18)22-24-16-19(17-25-22)12-9-6-4-2/h13-17H,3-12H2,1-2H3