1,3-dimethyl-7-(3-oxidanyl-3,6-dihydro-2H-pyran-6-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-oxidanyl-3,6-dihydro-2H-pyran-6-yl)purine-2,6-dione Openeye Name: 7-(3-hydroxy-3,6-dihydro-2H-pyran-6-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(3-hydroxy-3,6-dihydro-2H-pyran-6-yl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-hydroxy-3,6-dihydro-2H-pyran-6-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-hydroxy-3,6-dihydro-2H-pyran-6-yl)-1,3-dimethyl-xanthine Formula: C12H14N4O4 MolecularWeight: 278.26396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3C=CC(CO3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3C=CC(CO3)O

InChI

InChI=1S/C12H14N4O4/c1-14-10-9(11(18)15(2)12(14)19)16(6-13-10)8-4-3-7(17)5-20-8/h3-4,6-8,17H,5H2,1-2H3