2-[[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 2-[[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[1-(2-hydroxyethyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzoic acid Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2C=NN3CCO

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=NC=NC3=C2C=NN3CCO

InChI

InChI=1S/C14H13N5O3/c20-6-5-19-13-10(7-17-19)12(15-8-16-13)18-11-4-2-1-3-9(11)14(21)22/h1-4,7-8,20H,5-6H2,(H,21,22)(H,15,16,18)