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

Systemtic Name: 4-[[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-4-quinazolinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-4-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-4-yl]amino]methyl]benzoic acid Formula: C25H25N7O2 MolecularWeight: 455.5117

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)C(=O)O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)NCC4=CC=C(C=C4)C(=O)O)C5=NC=CC=N5

InChI

InChI=1S/C25H25N7O2/c33-24(34)19-8-6-18(7-9-19)16-28-23-20-4-1-2-5-21(20)29-22(30-23)17-31-12-14-32(15-13-31)25-26-10-3-11-27-25/h1-11H,12-17H2,(H,33,34)(H,28,29,30)