5-hexyl-6-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 5-hexyl-6-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 5-hexyl-6-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 5-hexyl-6-methyl-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 5-hexyl-6-methyl-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 5-hexyl-6-methyl-2-(4-phenylpiperazino)-1H-pyrimidin-4-one Formula: C21H30N4O MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O/c1-3-4-5-9-12-19-17(2)22-21(23-20(19)26)25-15-13-24(14-16-25)18-10-7-6-8-11-18/h6-8,10-11H,3-5,9,12-16H2,1-2H3,(H,22,23,26)