3-(8-azanyl-6-oxidanylidene-purin-2-yl)-5-(4-nitrophenyl)-2-propoxy-benzenesulfonamide

Systemtic Name: 3-(8-azanyl-6-oxidanylidene-purin-2-yl)-5-(4-nitrophenyl)-2-propoxy-benzenesulfonamide Openeye Name: 3-(8-amino-6-oxo-purin-2-yl)-5-(4-nitrophenyl)-2-propoxy-benzenesulfonamide CAS Name: 3-(8-amino-6-oxo-2-purinyl)-5-(4-nitrophenyl)-2-propoxybenzenesulfonamide IUPAC Name: 3-(8-amino-6-oxopurin-2-yl)-5-(4-nitrophenyl)-2-propoxybenzenesulfonamide Traditional Name: 3-(8-amino-6-keto-purin-2-yl)-5-(4-nitrophenyl)-2-propoxy-benzenesulfonamide Formula: C20H17N7O6S MolecularWeight: 483.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1S(=O)(=O)N)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=O)C4=NC(=NC4=N3)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1S(=O)(=O)N)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=O)C4=NC(=NC4=N3)N

InChI

InChI=1S/C20H17N7O6S/c1-2-7-33-16-13(17-24-18-15(19(28)25-17)23-20(21)26-18)8-11(9-14(16)34(22,31)32)10-3-5-12(6-4-10)27(29)30/h3-6,8-9H,2,7H2,1H3,(H2,22,31,32)(H2,21,24,25,26,28)