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

Systemtic Name: 4-[2,6-bis(oxidanylidene)-3-propyl-7H-purin-8-yl]benzenesulfonic acid Openeye Name: 4-(2,6-dioxo-3-propyl-7H-purin-8-yl)benzenesulfonic acid CAS Name: 4-(2,6-dioxo-3-propyl-7H-purin-8-yl)benzenesulfonic acid IUPAC Name: 4-(2,6-dioxo-3-propyl-7H-purin-8-yl)benzenesulfonic acid Traditional Name: 4-(2,6-diketo-3-propyl-7H-purin-8-yl)besylic acid Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C14H14N4O5S/c1-2-7-18-12-10(13(19)17-14(18)20)15-11(16-12)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,19,20)(H,21,22,23)