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

Systemtic Name: 4-[1,3-diethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-N-(2-oxidanylpropyl)benzenesulfonamide Openeye Name: 4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-N-(2-hydroxypropyl)benzenesulfonamide CAS Name: 4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-N-(2-hydroxypropyl)benzenesulfonamide IUPAC Name: 4-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-N-(2-hydroxypropyl)benzenesulfonamide Traditional Name: 4-(1,3-diethyl-2,6-diketo-7H-purin-8-yl)-N-(2-hydroxypropyl)benzenesulfonamide Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)NCC(C)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)NCC(C)O

InChI

InChI=1S/C18H23N5O5S/c1-4-22-16-14(17(25)23(5-2)18(22)26)20-15(21-16)12-6-8-13(9-7-12)29(27,28)19-10-11(3)24/h6-9,11,19,24H,4-5,10H2,1-3H3,(H,20,21)