4-[5-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]furan-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[5-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]furan-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[5-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-2-furyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[5-(3,7-dibutyl-2,6-dioxo-8-purinyl)-2-furanyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[5-(3,7-dibutyl-2,6-dioxopurin-8-yl)furan-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[5-(3,7-dibutyl-2,6-diketo-purin-8-yl)-2-furyl]-N,N-diethyl-benzenesulfonamide Formula: C27H35N5O5S MolecularWeight: 541.6623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CC=C(O3)C4=CC=C(C=C4)S(=O)(=O)N(CC)CC)N(C(=O)NC2=O)CCCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CC=C(O3)C4=CC=C(C=C4)S(=O)(=O)N(CC)CC)N(C(=O)NC2=O)CCCC

InChI

InChI=1S/C27H35N5O5S/c1-5-9-17-31-23-25(32(18-10-6-2)27(34)29-26(23)33)28-24(31)22-16-15-21(37-22)19-11-13-20(14-12-19)38(35,36)30(7-3)8-4/h11-16H,5-10,17-18H2,1-4H3,(H,29,33,34)