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

Systemtic Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetic acid Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N6O2/c29-20(30)11-13-5-9-15(10-6-13)23-22-24-17-4-2-1-3-16(17)21(26-22)25-19-12-18(27-28-19)14-7-8-14/h1-6,9-10,12,14H,7-8,11H2,(H,29,30)(H3,23,24,25,26,27,28)