4-[3-(thieno[3,2-d]pyrimidin-4-ylamino)-1H-pyrazol-5-yl]benzoic acid

Systemtic Name: 4-[3-(thieno[3,2-d]pyrimidin-4-ylamino)-1H-pyrazol-5-yl]benzoic acid Openeye Name: 4-[3-(thieno[3,2-d]pyrimidin-4-ylamino)-1H-pyrazol-5-yl]benzoic acid CAS Name: 4-[3-(4-thieno[3,2-d]pyrimidinylamino)-1H-pyrazol-5-yl]benzoic acid IUPAC Name: 4-[3-(thieno[3,2-d]pyrimidin-4-ylamino)-1H-pyrazol-5-yl]benzoic acid Traditional Name: 4-[3-(thieno[3,2-d]pyrimidin-4-ylamino)-1H-pyrazol-5-yl]benzoic acid Formula: C16H11N5O2S MolecularWeight: 337.35584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NN2)NC3=NC=NC4=C3SC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NN2)NC3=NC=NC4=C3SC=C4)C(=O)O

InChI

InChI=1S/C16H11N5O2S/c22-16(23)10-3-1-9(2-4-10)12-7-13(21-20-12)19-15-14-11(5-6-24-14)17-8-18-15/h1-8H,(H,22,23)(H2,17,18,19,20,21)