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

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]-N-(2-dimethylaminoethyl)benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonamide Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)-N-(2-dimethylaminoethyl)benzenesulfonamide Formula: C21H30N6O4S MolecularWeight: 462.5657

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)NCCN(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)NCCN(C)C

InChI

InChI=1S/C21H30N6O4S/c1-5-12-26-19-17(20(28)27(13-6-2)21(26)29)23-18(24-19)15-7-9-16(10-8-15)32(30,31)22-11-14-25(3)4/h7-10,22H,5-6,11-14H2,1-4H3,(H,23,24)