4-ethoxy-3-(4-oxidanylidene-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzenesulfonyl chloride

Systemtic Name: 4-ethoxy-3-(4-oxidanylidene-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzenesulfonyl chloride Openeye Name: 4-ethoxy-3-(4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzenesulfonyl chloride CAS Name: 4-ethoxy-3-(4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzenesulfonyl chloride IUPAC Name: 4-ethoxy-3-(4-oxo-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzenesulfonyl chloride Traditional Name: 4-ethoxy-3-(4-keto-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)benzenesulfonyl chloride Formula: C16H17ClN4O4S MolecularWeight: 396.84858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=CN1)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=CN1)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC

InChI

InChI=1S/C16H17ClN4O4S/c1-3-7-21-15-12(9-18-21)16(22)20-14(19-15)11-8-10(26(17,23)24)5-6-13(11)25-4-2/h5-6,8-9,18H,3-4,7H2,1-2H3