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

Systemtic Name: 2-oxidanyl-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid Openeye Name: 2-hydroxy-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]benzoic acid Formula: C24H23N7O3 MolecularWeight: 457.48452

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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)O)C5=NC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C24H23N7O3/c32-20-14-16(6-7-18(20)23(33)34)27-22-17-4-1-2-5-19(17)28-21(29-22)15-30-10-12-31(13-11-30)24-25-8-3-9-26-24/h1-9,14,32H,10-13,15H2,(H,33,34)(H,27,28,29)