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

Systemtic Name: 5-hexyl-6-methyl-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-hexyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-hexyl-6-methyl-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-hexyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazino)-5-hexyl-6-methyl-1H-pyrimidin-4-one Formula: C22H32N4O MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCC1=C(NC(=NC1=O)N2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H32N4O/c1-3-4-5-9-12-20-18(2)23-22(24-21(20)27)26-15-13-25(14-16-26)17-19-10-7-6-8-11-19/h6-8,10-11H,3-5,9,12-17H2,1-2H3,(H,23,24,27)