3-[1,3-diethyl-2,6-bis(oxidanylidene)purin-7-yl]benzenesulfonic acid

Systemtic Name: 3-[1,3-diethyl-2,6-bis(oxidanylidene)purin-7-yl]benzenesulfonic acid Openeye Name: 3-(1,3-diethyl-2,6-dioxo-purin-7-yl)benzenesulfonic acid CAS Name: 3-(1,3-diethyl-2,6-dioxo-7-purinyl)benzenesulfonic acid IUPAC Name: 3-(1,3-diethyl-2,6-dioxopurin-7-yl)benzenesulfonic acid Traditional Name: 3-(1,3-diethyl-2,6-diketo-purin-7-yl)besylic acid Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O5S/c1-3-17-13-12(14(20)18(4-2)15(17)21)19(9-16-13)10-6-5-7-11(8-10)25(22,23)24/h5-9H,3-4H2,1-2H3,(H,22,23,24)