4-[2,6-bis(oxidanylidene)-1,3-bis(prop-2-enyl)-7H-purin-8-yl]benzenesulfonic acid

Systemtic Name: 4-[2,6-bis(oxidanylidene)-1,3-bis(prop-2-enyl)-7H-purin-8-yl]benzenesulfonic acid Openeye Name: 4-(1,3-diallyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid CAS Name: 4-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]benzenesulfonic acid IUPAC Name: 4-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]benzenesulfonic acid Traditional Name: 4-(1,3-diallyl-2,6-diketo-7H-purin-8-yl)besylic acid Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c1-3-9-20-15-13(16(22)21(10-4-2)17(20)23)18-14(19-15)11-5-7-12(8-6-11)27(24,25)26/h3-8H,1-2,9-10H2,(H,18,19)(H,24,25,26)