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

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]benzenesulfonamide Openeye Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonamide CAS Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonamide IUPAC Name: 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)benzenesulfonamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)