5-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]isophthalic acid Formula: C25H23N7O4 MolecularWeight: 485.49462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)C(=O)O)C(=O)O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)C(=O)O)C(=O)O)C5=NC=CC=N5

InChI

InChI=1S/C25H23N7O4/c33-23(34)16-12-17(24(35)36)14-18(13-16)28-22-19-4-1-2-5-20(19)29-21(30-22)15-31-8-10-32(11-9-31)25-26-6-3-7-27-25/h1-7,12-14H,8-11,15H2,(H,33,34)(H,35,36)(H,28,29,30)