N-[4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxy-pyridine-3-sulfonamide

Systemtic Name: N-[4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxy-pyridine-3-sulfonamide Openeye Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxy-pyridine-3-sulfonamide CAS Name: N-[4-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)phenyl]-6-phenoxy-3-pyridinesulfonamide IUPAC Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxypyridine-3-sulfonamide Traditional Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-6-phenoxy-pyridine-3-sulfonamide Formula: C22H17N7O3S MolecularWeight: 459.48048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=NC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)N4C5=C(C=N4)C(=NC=N5)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=NC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)N4C5=C(C=N4)C(=NC=N5)N

InChI

InChI=1S/C22H17N7O3S/c23-21-19-13-27-29(22(19)26-14-25-21)16-8-6-15(7-9-16)28-33(30,31)18-10-11-20(24-12-18)32-17-4-2-1-3-5-17/h1-14,28H,(H2,23,25,26)