2-[[1,3-diethyl-8-(oxan-4-ylamino)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenesulfonamide

Systemtic Name: 2-[[1,3-diethyl-8-(oxan-4-ylamino)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenesulfonamide Openeye Name: 2-[[1,3-diethyl-2,6-dioxo-8-(tetrahydropyran-4-ylamino)purin-7-yl]methyl]benzenesulfonamide CAS Name: 2-[[1,3-diethyl-8-(4-oxanylamino)-2,6-dioxo-7-purinyl]methyl]benzenesulfonamide IUPAC Name: 2-[[1,3-diethyl-8-(oxan-4-ylamino)-2,6-dioxopurin-7-yl]methyl]benzenesulfonamide Traditional Name: 2-[[1,3-diethyl-2,6-diketo-8-(tetrahydropyran-4-ylamino)purin-7-yl]methyl]benzenesulfonamide Formula: C21H28N6O5S MolecularWeight: 476.54922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCOCC3)CC4=CC=CC=C4S(=O)(=O)N

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCOCC3)CC4=CC=CC=C4S(=O)(=O)N

InChI

InChI=1S/C21H28N6O5S/c1-3-25-18-17(19(28)26(4-2)21(25)29)27(20(24-18)23-15-9-11-32-12-10-15)13-14-7-5-6-8-16(14)33(22,30)31/h5-8,15H,3-4,9-13H2,1-2H3,(H,23,24)(H2,22,30,31)