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

Systemtic Name: N-[1,3-bis(cyclopropylmethyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]-4-methoxy-benzenesulfonamide Openeye Name: N-[1,3-bis(cyclopropylmethyl)-2,6-dioxo-7H-purin-8-yl]-4-methoxy-benzenesulfonamide CAS Name: N-[1,3-bis(cyclopropylmethyl)-2,6-dioxo-7H-purin-8-yl]-4-methoxybenzenesulfonamide IUPAC Name: N-[1,3-bis(cyclopropylmethyl)-2,6-dioxo-7H-purin-8-yl]-4-methoxybenzenesulfonamide Traditional Name: N-[1,3-bis(cyclopropylmethyl)-2,6-diketo-7H-purin-8-yl]-4-methoxy-benzenesulfonamide Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(N2)C(=O)N(C(=O)N3CC4CC4)CC5CC5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(N2)C(=O)N(C(=O)N3CC4CC4)CC5CC5

InChI

InChI=1S/C20H23N5O5S/c1-30-14-6-8-15(9-7-14)31(28,29)23-19-21-16-17(22-19)24(10-12-2-3-12)20(27)25(18(16)26)11-13-4-5-13/h6-9,12-13H,2-5,10-11H2,1H3,(H2,21,22,23)