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

Systemtic Name: N-[1,3-bis(cyclopropylmethyl)-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]-4-methoxy-benzenesulfonamide Openeye Name: N-[1,3-bis(cyclopropylmethyl)-7-methyl-2,6-dioxo-purin-8-yl]-4-methoxy-benzenesulfonamide CAS Name: N-[1,3-bis(cyclopropylmethyl)-7-methyl-2,6-dioxo-8-purinyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[1,3-bis(cyclopropylmethyl)-7-methyl-2,6-dioxopurin-8-yl]-4-methoxybenzenesulfonamide Traditional Name: N-[1,3-bis(cyclopropylmethyl)-2,6-diketo-7-methyl-purin-8-yl]-4-methoxy-benzenesulfonamide Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NS(=O)(=O)C3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4CC4)CC5CC5

Isomeric SMILES

CN1C2=C(N=C1NS(=O)(=O)C3=CC=C(C=C3)OC)N(C(=O)N(C2=O)CC4CC4)CC5CC5

InChI

InChI=1S/C21H25N5O5S/c1-24-17-18(22-20(24)23-32(29,30)16-9-7-15(31-2)8-10-16)25(11-13-3-4-13)21(28)26(19(17)27)12-14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,22,23)