N-butyl-4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylamino]-N-methyl-benzenesulfonamide

Systemtic Name: N-butyl-4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethylamino]-N-methyl-benzenesulfonamide Openeye Name: N-butyl-4-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethylamino]-N-methyl-benzenesulfonamide CAS Name: N-butyl-4-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethylamino]-N-methylbenzenesulfonamide IUPAC Name: N-butyl-4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethylamino]-N-methylbenzenesulfonamide Traditional Name: N-butyl-4-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethylamino]-N-methyl-benzenesulfonamide Formula: C20H28N6O4S MolecularWeight: 448.53912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C20H28N6O4S/c1-5-6-12-23(2)31(29,30)16-9-7-15(8-10-16)21-11-13-26-14-22-18-17(26)19(27)25(4)20(28)24(18)3/h7-10,14,21H,5-6,11-13H2,1-4H3