3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[[5-(3-thienyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[5-(3-thiophenyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[(5-thiophen-3-ylpyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[[5-(3-thienyl)pyrimidin-2-yl]amino]benzoic acid Formula: C15H11N3O2S MolecularWeight: 297.33174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=C(C=N2)C3=CSC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=C(C=N2)C3=CSC=C3)C(=O)O

InChI

InChI=1S/C15H11N3O2S/c19-14(20)10-2-1-3-13(6-10)18-15-16-7-12(8-17-15)11-4-5-21-9-11/h1-9H,(H,19,20)(H,16,17,18)