2-[[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(1H-indazol-6-ylamino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]benzoic acid Formula: C18H14N6O2 MolecularWeight: 346.34276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)NC3=CC4=C(C=C3)C=NN4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC(=NC=C2)NC3=CC4=C(C=C3)C=NN4

InChI

InChI=1S/C18H14N6O2/c25-17(26)13-3-1-2-4-14(13)22-16-7-8-19-18(23-16)21-12-6-5-11-10-20-24-15(11)9-12/h1-10H,(H,20,24)(H,25,26)(H2,19,21,22,23)