1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H24N4O5/c1-27-16-11-14(12-17(28-2)19(16)29-3)15(25)13-18(26)23-7-9-24(10-8-23)20-21-5-4-6-22-20/h4-6,11-12H,7-10,13H2,1-3H3