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

Systemtic Name: 2-[[1-(3-iodanylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoic acid Openeye Name: 2-[[1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid CAS Name: 2-[[1-(3-iodophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid Traditional Name: 2-[[1-(3-iodophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid Formula: C13H10IN5O2 MolecularWeight: 395.15527

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)N2C3=C(C=N2)C(=NC=N3)NCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)I)N2C3=C(C=N2)C(=NC=N3)NCC(=O)O

InChI

InChI=1S/C13H10IN5O2/c14-8-2-1-3-9(4-8)19-13-10(5-18-19)12(16-7-17-13)15-6-11(20)21/h1-5,7H,6H2,(H,20,21)(H,15,16,17)