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

Systemtic Name: 2-[[1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoic acid Openeye Name: 2-[[1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid CAS Name: 2-[[1-(3-ethynylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid Traditional Name: 2-[[1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid Formula: C15H11N5O2 MolecularWeight: 293.28014

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCC(=O)O

Isomeric SMILES

C#CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC=N3)NCC(=O)O

InChI

InChI=1S/C15H11N5O2/c1-2-10-4-3-5-11(6-10)20-15-12(7-19-20)14(17-9-18-15)16-8-13(21)22/h1,3-7,9H,8H2,(H,21,22)(H,16,17,18)