2-[2-(4-butoxy-3-chloranyl-phenyl)ethyl]-5-pentyl-pyrimidine

Systemtic Name: 2-[2-(4-butoxy-3-chloranyl-phenyl)ethyl]-5-pentyl-pyrimidine Openeye Name: 2-[2-(4-butoxy-3-chloro-phenyl)ethyl]-5-pentyl-pyrimidine CAS Name: 2-[2-(4-butoxy-3-chlorophenyl)ethyl]-5-pentylpyrimidine IUPAC Name: 2-[2-(4-butoxy-3-chlorophenyl)ethyl]-5-pentylpyrimidine Traditional Name: 5-amyl-2-[2-(4-butoxy-3-chloro-phenyl)ethyl]pyrimidine Formula: C21H29ClN2O MolecularWeight: 360.92076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)CCC2=CC(=C(C=C2)OCCCC)Cl

Isomeric SMILES

CCCCCC1=CN=C(N=C1)CCC2=CC(=C(C=C2)OCCCC)Cl

InChI

InChI=1S/C21H29ClN2O/c1-3-5-7-8-18-15-23-21(24-16-18)12-10-17-9-11-20(19(22)14-17)25-13-6-4-2/h9,11,14-16H,3-8,10,12-13H2,1-2H3