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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C5CC5

InChI

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