4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]benzenesulfonamide

Systemtic Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]benzenesulfonamide Openeye Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]benzenesulfonamide CAS Name: 4-[2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethoxy]benzenesulfonamide Traditional Name: 4-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethoxy]benzenesulfonamide Formula: C19H17N5O3S2 MolecularWeight: 427.49998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCOC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCOC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C19H17N5O3S2/c20-29(25,26)16-8-6-15(7-9-16)27-10-11-28-19-17-12-23-24(18(17)21-13-22-19)14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H2,20,25,26)