2-[4-(3-chlorophenyl)piperazin-1-yl]-5-hexyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-hexyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-hexyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(3-chlorophenyl)-1-piperazinyl]-5-hexyl-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-5-hexyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[4-(3-chlorophenyl)piperazino]-5-hexyl-6-methyl-1H-pyrimidin-4-one Formula: C21H29ClN4O MolecularWeight: 388.93416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCCCCCC1=C(NC(=NC1=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H29ClN4O/c1-3-4-5-6-10-19-16(2)23-21(24-20(19)27)26-13-11-25(12-14-26)18-9-7-8-17(22)15-18/h7-9,15H,3-6,10-14H2,1-2H3,(H,23,24,27)