3,4-diethoxy-N-[2-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 3,4-diethoxy-N-[2-(4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzenesulfonamide Openeye Name: 3,4-diethoxy-N-[2-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzenesulfonamide CAS Name: 3,4-diethoxy-N-[2-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzenesulfonamide IUPAC Name: 3,4-diethoxy-N-[2-(4-oxo-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzenesulfonamide Traditional Name: 3,4-diethoxy-N-[2-(4-keto-2H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]benzenesulfonamide Formula: C21H21N5O5S MolecularWeight: 455.48694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3C4=NC=NC(=O)C4=CN3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3C4=NC=NC(=O)C4=CN3)OCC

InChI

InChI=1S/C21H21N5O5S/c1-3-30-18-10-9-14(11-19(18)31-4-2)32(28,29)25-16-7-5-6-8-17(16)26-20-15(12-24-26)21(27)23-13-22-20/h5-13,24-25H,3-4H2,1-2H3