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

Systemtic Name: 3-methyl-7-[[3,4,5-tris(oxidanyl)oxan-2-yl]methyl]purine-2,6-dione Openeye Name: 3-methyl-7-[(3,4,5-trihydroxytetrahydropyran-2-yl)methyl]purine-2,6-dione CAS Name: 3-methyl-7-[(3,4,5-trihydroxy-2-oxanyl)methyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[(3,4,5-trihydroxyoxan-2-yl)methyl]purine-2,6-dione Traditional Name: 3-methyl-7-[(3,4,5-trihydroxytetrahydropyran-2-yl)methyl]xanthine Formula: C12H16N4O6 MolecularWeight: 312.27864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3C(C(C(CO3)O)O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC3C(C(C(CO3)O)O)O

InChI

InChI=1S/C12H16N4O6/c1-15-10-7(11(20)14-12(15)21)16(4-13-10)2-6-9(19)8(18)5(17)3-22-6/h4-6,8-9,17-19H,2-3H2,1H3,(H,14,20,21)