1,3-dimethyl-9-(2-oxidanylidene-1,3,2-dioxathian-5-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-(2-oxidanylidene-1,3,2-dioxathian-5-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-9-(2-oxo-1,3,2-dioxathian-5-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-9-(2-oxo-1,3,2-dioxathian-5-yl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-9-(2-oxo-1,3,2-dioxathian-5-yl)purine-2,6-dione Traditional Name: 9-(2-keto-1,3,2-dioxathian-5-yl)-1,3-dimethyl-xanthine Formula: C10H12N4O5S MolecularWeight: 300.29108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3COS(=O)OC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2C3COS(=O)OC3

InChI

InChI=1S/C10H12N4O5S/c1-12-8-7(9(15)13(2)10(12)16)11-5-14(8)6-3-18-20(17)19-4-6/h5-6H,3-4H2,1-2H3