3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]benzoic acid Formula: C24H23N7O2 MolecularWeight: 441.48512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N7O2/c32-23(33)17-5-3-6-18(15-17)27-22-19-7-1-2-8-20(19)28-21(29-22)16-30-11-13-31(14-12-30)24-25-9-4-10-26-24/h1-10,15H,11-14,16H2,(H,32,33)(H,27,28,29)