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

Systemtic Name: 5-chloranyl-2-methoxy-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid Traditional Name: 5-chloro-2-methoxy-4-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]benzoic acid Formula: C25H24ClN7O3 MolecularWeight: 505.95616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC2=NC(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H24ClN7O3/c1-36-21-14-20(18(26)13-17(21)24(34)35)30-23-16-5-2-3-6-19(16)29-22(31-23)15-32-9-11-33(12-10-32)25-27-7-4-8-28-25/h2-8,13-14H,9-12,15H2,1H3,(H,34,35)(H,29,30,31)