4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(2-phenyl-3-pyrazolyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(2-phenylpyrazol-3-yl)pyrimidin-2-yl]amino]benzoic acid Formula: C20H15N5O2 MolecularWeight: 357.3654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=CC=N2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=CC=N2)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H15N5O2/c26-19(27)14-6-8-15(9-7-14)23-20-21-12-10-17(24-20)18-11-13-22-25(18)16-4-2-1-3-5-16/h1-13H,(H,26,27)(H,21,23,24)