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

Systemtic Name: 2-[[1-(3-cyanophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoic acid Openeye Name: 2-[[1-(3-cyanophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid CAS Name: 2-[[1-(3-cyanophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[1-(3-cyanophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid Traditional Name: 2-[[1-(3-cyanophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]acetic acid Formula: C14H10N6O2 MolecularWeight: 294.2682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N6O2/c15-5-9-2-1-3-10(4-9)20-14-11(6-19-20)13(17-8-18-14)16-7-12(21)22/h1-4,6,8H,7H2,(H,21,22)(H,16,17,18)