N-ethyl-N-methyl-3-(8-nitroso-6-oxidanylidene-3,7-dihydropurin-2-yl)-4-propoxy-benzenesulfonamide

Systemtic Name: N-ethyl-N-methyl-3-(8-nitroso-6-oxidanylidene-3,7-dihydropurin-2-yl)-4-propoxy-benzenesulfonamide Openeye Name: N-ethyl-N-methyl-3-(8-nitroso-6-oxo-3,7-dihydropurin-2-yl)-4-propoxy-benzenesulfonamide CAS Name: N-ethyl-N-methyl-3-(8-nitroso-6-oxo-3,7-dihydropurin-2-yl)-4-propoxybenzenesulfonamide IUPAC Name: N-ethyl-N-methyl-3-(8-nitroso-6-oxo-3,7-dihydropurin-2-yl)-4-propoxybenzenesulfonamide Traditional Name: N-ethyl-3-(6-keto-8-nitroso-3,7-dihydropurin-2-yl)-N-methyl-4-propoxy-benzenesulfonamide Formula: C17H20N6O5S MolecularWeight: 420.4429

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC)C2=NC(=O)C3=C(N2)N=C(N3)N=O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC)C2=NC(=O)C3=C(N2)N=C(N3)N=O

InChI

InChI=1S/C17H20N6O5S/c1-4-8-28-12-7-6-10(29(26,27)23(3)5-2)9-11(12)14-19-15-13(16(24)20-14)18-17(21-15)22-25/h6-7,9H,4-5,8H2,1-3H3,(H2,18,19,20,21,24)