4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoate

Systemtic Name: 4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoate Openeye Name: 4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoate CAS Name: 4-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]benzoate IUPAC Name: 4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoate Traditional Name: 4-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]benzoate Formula: C24H22N7O2- MolecularWeight: 440.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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