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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N7O2/c33-23(34)16-18-6-8-19(9-7-18)28-24-20-4-1-2-5-21(20)29-22(30-24)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)