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

Systemtic Name: 4-chloranyl-3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid Openeye Name: 4-chloro-3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]benzoic acid Formula: C24H22ClN7O2 MolecularWeight: 475.93018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN7O2/c25-18-7-6-16(23(33)34)14-20(18)29-22-17-4-1-2-5-19(17)28-21(30-22)15-31-10-12-32(13-11-31)24-26-8-3-9-27-24/h1-9,14H,10-13,15H2,(H,33,34)(H,28,29,30)