4-[[5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-(4-phenylphenyl)-4-thieno[2,3-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid Formula: C25H17N3O2S MolecularWeight: 423.48638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC4=NC=NC(=C34)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC4=NC=NC(=C34)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C25H17N3O2S/c29-25(30)19-10-12-20(13-11-19)28-23-22-21(14-31-24(22)27-15-26-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15H,(H,29,30)(H,26,27,28)