1,7-dimethyl-3-[[3,4,5-tris(oxidanyl)oxan-2-yl]methyl]purine-2,6-dione

Systemtic Name: 1,7-dimethyl-3-[[3,4,5-tris(oxidanyl)oxan-2-yl]methyl]purine-2,6-dione Openeye Name: 1,7-dimethyl-3-[(3,4,5-trihydroxytetrahydropyran-2-yl)methyl]purine-2,6-dione CAS Name: 1,7-dimethyl-3-[(3,4,5-trihydroxy-2-oxanyl)methyl]purine-2,6-dione IUPAC Name: 1,7-dimethyl-3-[(3,4,5-trihydroxyoxan-2-yl)methyl]purine-2,6-dione Traditional Name: 1,7-dimethyl-3-[(3,4,5-trihydroxytetrahydropyran-2-yl)methyl]xanthine Formula: C13H18N4O6 MolecularWeight: 326.30522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CC3C(C(C(CO3)O)O)O)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CC3C(C(C(CO3)O)O)O)C

InChI

InChI=1S/C13H18N4O6/c1-15-5-14-11-8(15)12(21)16(2)13(22)17(11)3-7-10(20)9(19)6(18)4-23-7/h5-7,9-10,18-20H,3-4H2,1-2H3