1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol

Systemtic Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol Openeye Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol CAS Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]-5-hexen-2-ol IUPAC Name: 1-[4-[5-[(2-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol Traditional Name: 1-[4-[5-(2-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]piperazino]hex-5-en-2-ol Formula: C23H31ClN4O MolecularWeight: 414.97144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(CCC=C)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)CC(CCC=C)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C23H31ClN4O/c1-4-5-9-20(29)16-27-11-13-28(14-12-27)23-21(17(2)25-18(3)26-23)15-19-8-6-7-10-22(19)24/h4,6-8,10,20,29H,1,5,9,11-16H2,2-3H3