3-[9-(4-nitrophenyl)-6-oxidanylidene-3H-purin-2-yl]-4-propoxy-benzenesulfonyl chloride

Systemtic Name: 3-[9-(4-nitrophenyl)-6-oxidanylidene-3H-purin-2-yl]-4-propoxy-benzenesulfonyl chloride Openeye Name: 3-[9-(4-nitrophenyl)-6-oxo-3H-purin-2-yl]-4-propoxy-benzenesulfonyl chloride CAS Name: 3-[9-(4-nitrophenyl)-6-oxo-3H-purin-2-yl]-4-propoxybenzenesulfonyl chloride IUPAC Name: 3-[9-(4-nitrophenyl)-6-oxo-3H-purin-2-yl]-4-propoxybenzenesulfonyl chloride Traditional Name: 3-[6-keto-9-(4-nitrophenyl)-3H-purin-2-yl]-4-propoxy-benzenesulfonyl chloride Formula: C20H16ClN5O6S MolecularWeight: 489.88894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C2=NC(=O)C3=C(N2)N(C=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C2=NC(=O)C3=C(N2)N(C=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN5O6S/c1-2-9-32-16-8-7-14(33(21,30)31)10-15(16)18-23-19-17(20(27)24-18)22-11-25(19)12-3-5-13(6-4-12)26(28)29/h3-8,10-11H,2,9H2,1H3,(H,23,24,27)