2-azanyl-3-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)pyridin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)pyridin-2-yl]propanoic acid Openeye Name: 2-amino-3-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)-2-pyridyl]propanoic acid CAS Name: 2-amino-3-[6-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-2-pyridinyl]propanoic acid IUPAC Name: 2-amino-3-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)pyridin-2-yl]propanoic acid Traditional Name: 2-amino-3-[6-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]-2-pyridyl]propionic acid Formula: C14H14N6O2S MolecularWeight: 330.36496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)CSC2=NC=NC3=C2C=NN3)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=NC(=C1)CSC2=NC=NC3=C2C=NN3)CC(C(=O)O)N

InChI

InChI=1S/C14H14N6O2S/c15-11(14(21)22)4-8-2-1-3-9(19-8)6-23-13-10-5-18-20-12(10)16-7-17-13/h1-3,5,7,11H,4,6,15H2,(H,21,22)(H,16,17,18,20)