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

Systemtic Name: 5-(4-butoxy-3-chloranyl-phenyl)-2-heptyl-pyrimidine Openeye Name: 5-(4-butoxy-3-chloro-phenyl)-2-heptyl-pyrimidine CAS Name: 5-(4-butoxy-3-chlorophenyl)-2-heptylpyrimidine IUPAC Name: 5-(4-butoxy-3-chlorophenyl)-2-heptylpyrimidine Traditional Name: 5-(4-butoxy-3-chloro-phenyl)-2-heptyl-pyrimidine Formula: C21H29ClN2O MolecularWeight: 360.92076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN2O/c1-3-5-7-8-9-10-21-23-15-18(16-24-21)17-11-12-20(19(22)14-17)25-13-6-4-2/h11-12,14-16H,3-10,13H2,1-2H3