4-[(4-phenylazanyl-5-pyridin-4-yl-pyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 4-[(4-phenylazanyl-5-pyridin-4-yl-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 4-[[4-anilino-5-(4-pyridyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[(4-anilino-5-pyridin-4-yl-2-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(4-anilino-5-pyridin-4-ylpyrimidin-2-yl)amino]benzoic acid Traditional Name: 4-[[4-anilino-5-(4-pyridyl)pyrimidin-2-yl]amino]benzoic acid Formula: C22H17N5O2 MolecularWeight: 383.40268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC=C2C3=CC=NC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC=C2C3=CC=NC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17N5O2/c28-21(29)16-6-8-18(9-7-16)26-22-24-14-19(15-10-12-23-13-11-15)20(27-22)25-17-4-2-1-3-5-17/h1-14H,(H,28,29)(H2,24,25,26,27)