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

Systemtic Name: 2-methyl-4-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzoic acid Openeye Name: 2-methyl-4-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzoic acid CAS Name: 2-methyl-4-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]amino]benzoic acid IUPAC Name: 2-methyl-4-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzoic acid Traditional Name: 2-methyl-4-[methyl-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]benzoic acid Formula: C21H20N6O2 MolecularWeight: 388.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)N(C)C4=CC(=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)N(C)C4=CC(=C(C=C4)C(=O)O)C

InChI

InChI=1S/C21H20N6O2/c1-12-10-14(8-9-15(12)20(28)29)27(3)21-22-17-7-5-4-6-16(17)19(24-21)23-18-11-13(2)25-26-18/h4-11H,1-3H3,(H,28,29)(H2,22,23,24,25,26)