2-[(6-methyl-2-phenylazanyl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 2-[(6-methyl-2-phenylazanyl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-[(2-anilino-6-methyl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 2-[(2-anilino-6-methyl-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-[(2-anilino-6-methylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-[(2-anilino-6-methyl-pyrimidin-4-yl)amino]benzoic acid Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=CC=C2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=CC=C2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H16N4O2/c1-12-11-16(21-15-10-6-5-9-14(15)17(23)24)22-18(19-12)20-13-7-3-2-4-8-13/h2-11H,1H3,(H,23,24)(H2,19,20,21,22)