2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one CAS Name: 2-[4-[(3,5-dimethoxyphenyl)methyl]-1-piperazinyl]-6-[(4-phenyl-1-piperazinyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-6-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-[4-(3,5-dimethoxybenzyl)piperazino]-6-[(4-phenylpiperazino)methyl]-1H-pyrimidin-4-one Formula: C28H36N6O3 MolecularWeight: 504.62384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCN(CC2)C3=NC(=O)C=C(N3)CN4CCN(CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCN(CC2)C3=NC(=O)C=C(N3)CN4CCN(CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H36N6O3/c1-36-25-16-22(17-26(19-25)37-2)20-31-10-14-34(15-11-31)28-29-23(18-27(35)30-28)21-32-8-12-33(13-9-32)24-6-4-3-5-7-24/h3-7,16-19H,8-15,20-21H2,1-2H3,(H,29,30,35)