2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]ethanoic acid Openeye Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetic acid CAS Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]amino]phenoxy]acetic acid IUPAC Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetic acid Traditional Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenoxy]acetic acid Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2)NC3=NC(=NC4=CC=CC=C43)NC5=CC=C(C=C5)OCC(=O)O

Isomeric SMILES

C1CC1C2=CC(=NN2)NC3=NC(=NC4=CC=CC=C43)NC5=CC=C(C=C5)OCC(=O)O

InChI

InChI=1S/C22H20N6O3/c29-20(30)12-31-15-9-7-14(8-10-15)23-22-24-17-4-2-1-3-16(17)21(26-22)25-19-11-18(27-28-19)13-5-6-13/h1-4,7-11,13H,5-6,12H2,(H,29,30)(H3,23,24,25,26,27,28)