4-[6-(2,5-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[6-(2,5-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[6-(2,5-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[6-(2,5-dimethoxyphenyl)-2-(4-phenyl-1-piperazinyl)-1H-pyrimidin-4-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[6-(2,5-dimethoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[6-(2,5-dimethoxyphenyl)-2-(4-phenylpiperazino)-1H-pyrimidin-4-ylidene]cyclohexa-2,5-dien-1-one Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=C3C=CC(=O)C=C3)N=C(N2)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=C3C=CC(=O)C=C3)N=C(N2)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c1-34-23-12-13-27(35-2)24(18-23)26-19-25(20-8-10-22(33)11-9-20)29-28(30-26)32-16-14-31(15-17-32)21-6-4-3-5-7-21/h3-13,18-19H,14-17H2,1-2H3,(H,29,30)