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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)O)C2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)O)C2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

InChI

InChI=1S/C22H20N6O2/c1-28(15-10-8-14(9-11-15)21(29)30)22-23-17-5-3-2-4-16(17)20(25-22)24-19-12-18(26-27-19)13-6-7-13/h2-5,8-13H,6-7H2,1H3,(H,29,30)(H2,23,24,25,26,27)