2-[[2-[(3-fluoranyl-4-methyl-phenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-[(3-fluoranyl-4-methyl-phenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(3-fluoro-4-methyl-anilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(3-fluoro-4-methylanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-fluoro-4-methylanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(3-fluoro-4-methyl-anilino)pyrimidin-4-yl]amino]benzoic acid Formula: C18H15FN4O2 MolecularWeight: 338.335703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O)F

InChI

InChI=1S/C18H15FN4O2/c1-11-6-7-12(10-14(11)19)21-18-20-9-8-16(23-18)22-15-5-3-2-4-13(15)17(24)25/h2-10H,1H3,(H,24,25)(H2,20,21,22,23)