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

Systemtic Name: 2-bromanyl-4-[[1,3-diethyl-8-(oxan-4-ylamino)-2,6-bis(oxidanylidene)purin-7-yl]methyl]benzenesulfonamide Openeye Name: 2-bromo-4-[[1,3-diethyl-2,6-dioxo-8-(tetrahydropyran-4-ylamino)purin-7-yl]methyl]benzenesulfonamide CAS Name: 2-bromo-4-[[1,3-diethyl-8-(4-oxanylamino)-2,6-dioxo-7-purinyl]methyl]benzenesulfonamide IUPAC Name: 2-bromo-4-[[1,3-diethyl-8-(oxan-4-ylamino)-2,6-dioxopurin-7-yl]methyl]benzenesulfonamide Traditional Name: 2-bromo-4-[[1,3-diethyl-2,6-diketo-8-(tetrahydropyran-4-ylamino)purin-7-yl]methyl]benzenesulfonamide Formula: C21H27BrN6O5S MolecularWeight: 555.44528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCOCC3)CC4=CC(=C(C=C4)S(=O)(=O)N)Br

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCOCC3)CC4=CC(=C(C=C4)S(=O)(=O)N)Br

InChI

InChI=1S/C21H27BrN6O5S/c1-3-26-18-17(19(29)27(4-2)21(26)30)28(20(25-18)24-14-7-9-33-10-8-14)12-13-5-6-16(15(22)11-13)34(23,31)32/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,24,25)(H2,23,31,32)