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

Systemtic Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzoic acid CAS Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzoic acid Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O2/c28-20(29)13-4-3-5-14(10-13)22-21-23-16-7-2-1-6-15(16)19(25-21)24-18-11-17(26-27-18)12-8-9-12/h1-7,10-12H,8-9H2,(H,28,29)(H3,22,23,24,25,26,27)