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

Systemtic Name: 3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[4-(1H-indazol-5-ylamino)-2-thieno[3,2-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]benzoic acid Formula: C20H14N6O2S MolecularWeight: 402.42916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC3=C(C(=N2)NC4=CC5=C(C=C4)NN=C5)SC=C3)C(=O)O

InChI

InChI=1S/C20H14N6O2S/c27-19(28)11-2-1-3-13(8-11)23-20-24-16-6-7-29-17(16)18(25-20)22-14-4-5-15-12(9-14)10-21-26-15/h1-10H,(H,21,26)(H,27,28)(H2,22,23,24,25)