4-ethoxy-3-(7-oxidanylidene-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride

Systemtic Name: 4-ethoxy-3-(7-oxidanylidene-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride Openeye Name: 4-ethoxy-3-(7-oxo-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride CAS Name: 4-ethoxy-3-(7-oxo-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride IUPAC Name: 4-ethoxy-3-(7-oxo-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride Traditional Name: 4-ethoxy-3-(7-keto-3-propyl-2,4-dihydropyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonyl chloride Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1)C(=O)N=C(N2)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC

Isomeric SMILES

CCCC1=C2C(=NN1)C(=O)N=C(N2)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC

InChI

InChI=1S/C16H17ClN4O4S/c1-3-5-11-13-14(21-20-11)16(22)19-15(18-13)10-8-9(26(17,23)24)6-7-12(10)25-4-2/h6-8H,3-5H2,1-2H3,(H,20,21)(H,18,19,22)