3,7-dimethyl-2,6-bis(oxidanylidene)-1-prop-2-enyl-purine-8-sulfonic acid

Systemtic Name: 3,7-dimethyl-2,6-bis(oxidanylidene)-1-prop-2-enyl-purine-8-sulfonic acid Openeye Name: 1-allyl-3,7-dimethyl-2,6-dioxo-purine-8-sulfonic acid CAS Name: 3,7-dimethyl-2,6-dioxo-1-prop-2-enyl-8-purinesulfonic acid IUPAC Name: 3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurine-8-sulfonic acid Traditional Name: 1-allyl-2,6-diketo-3,7-dimethyl-purine-8-sulfonic acid Formula: C10H12N4O5S MolecularWeight: 300.29108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1S(=O)(=O)O)N(C(=O)N(C2=O)CC=C)C

Isomeric SMILES

CN1C2=C(N=C1S(=O)(=O)O)N(C(=O)N(C2=O)CC=C)C

InChI

InChI=1S/C10H12N4O5S/c1-4-5-14-8(15)6-7(13(3)10(14)16)11-9(12(6)2)20(17,18)19/h4H,1,5H2,2-3H3,(H,17,18,19)