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

Systemtic Name: dimethyl 5-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(2-pyrimidyl)piperazine-1-carbonyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C3=NC=CC=N3)C(=O)OC

InChI

InChI=1S/C19H21N5O5/c1-28-16(25)13-10-14(17(26)29-2)12-15(11-13)22-19(27)24-8-6-23(7-9-24)18-20-4-3-5-21-18/h3-5,10-12H,6-9H2,1-2H3,(H,22,27)