5-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]furan-3-sulfonic acid

Systemtic Name: 5-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]furan-3-sulfonic acid Openeye Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)furan-3-sulfonic acid CAS Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-3-furansulfonic acid IUPAC Name: 5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)furan-3-sulfonic acid Traditional Name: 5-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)furan-3-sulfonic acid Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=CO3)S(=O)(=O)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=CO3)S(=O)(=O)O

InChI

InChI=1S/C15H18N4O6S/c1-3-5-18-13-11(14(20)19(6-4-2)15(18)21)16-12(17-13)10-7-9(8-25-10)26(22,23)24/h7-8H,3-6H2,1-2H3,(H,16,17)(H,22,23,24)