potassium 4-[1-butyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]benzenesulfonate

Systemtic Name: potassium 4-[1-butyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]benzenesulfonate Openeye Name: potassium 4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzenesulfonate CAS Name: potassium 4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzenesulfonate IUPAC Name: potassium 4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzenesulfonate Traditional Name: potassium 4-(1-butyl-2,6-diketo-3,7-dihydropurin-8-yl)besylate Formula: C15H15KN4O5S MolecularWeight: 402.4667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C15H16N4O5S.K/c1-2-3-8-19-14(20)11-13(18-15(19)21)17-12(16-11)9-4-6-10(7-5-9)25(22,23)24;/h4-7H,2-3,8H2,1H3,(H,16,17)(H,18,21)(H,22,23,24);/q;+1/p-1