N-(furan-2-ylmethyl)-2-nitro-N-(7H-purin-6-yl)benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-2-nitro-N-(7H-purin-6-yl)benzenesulfonamide Openeye Name: N-(2-furylmethyl)-2-nitro-N-(7H-purin-6-yl)benzenesulfonamide CAS Name: N-(2-furanylmethyl)-2-nitro-N-(7H-purin-6-yl)benzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-2-nitro-N-(7H-purin-6-yl)benzenesulfonamide Traditional Name: N-(2-furfuryl)-2-nitro-N-(7H-purin-6-yl)benzenesulfonamide Formula: C16H12N6O5S MolecularWeight: 400.36868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CC2=CC=CO2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CC2=CC=CO2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H12N6O5S/c23-22(24)12-5-1-2-6-13(12)28(25,26)21(8-11-4-3-7-27-11)16-14-15(18-9-17-14)19-10-20-16/h1-7,9-10H,8H2,(H,17,18,19,20)