dimethyl 5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(2-pyrimidyl)piperazino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H23N5O5 MolecularWeight: 413.42712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)C3=NC=CC=N3)C(=O)OC

InChI

InChI=1S/C20H23N5O5/c1-29-18(27)14-10-15(19(28)30-2)12-16(11-14)23-17(26)13-24-6-8-25(9-7-24)20-21-4-3-5-22-20/h3-5,10-12H,6-9,13H2,1-2H3,(H,23,26)