3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N,N-bis(2-hydroxyethyl)-4-propoxy-benzenesulfonamide

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N,N-bis(2-hydroxyethyl)-4-propoxy-benzenesulfonamide Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N,N-bis(2-hydroxyethyl)-4-propoxy-benzenesulfonamide CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N,N-bis(2-hydroxyethyl)-4-propoxybenzenesulfonamide IUPAC Name: 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-N,N-bis(2-hydroxyethyl)-4-propoxybenzenesulfonamide Traditional Name: 3-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-N,N-bis(2-hydroxyethyl)-4-propoxy-benzenesulfonamide Formula: C20H27N5O7S MolecularWeight: 481.52268

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N(CCO)CCO)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N(CCO)CCO)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H27N5O7S/c1-4-11-32-15-6-5-13(33(30,31)25(7-9-26)8-10-27)12-14(15)17-21-16-18(22-17)23(2)20(29)24(3)19(16)28/h5-6,12,26-27H,4,7-11H2,1-3H3,(H,21,22)