1,3-dimethyl-7-[(3S,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(3S,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(3S,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3S,5S)-5-methyl-2-oxo-3-oxolanyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]purine-2,6-dione Traditional Name: 7-[(3S,5S)-2-keto-5-methyl-tetrahydrofuran-3-yl]-1,3-dimethyl-xanthine Formula: C12H14N4O4 MolecularWeight: 278.26396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[C@H]1C[C@@H](C(=O)O1)N2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C12H14N4O4/c1-6-4-7(11(18)20-6)16-5-13-9-8(16)10(17)15(3)12(19)14(9)2/h5-7H,4H2,1-3H3/t6-,7-/m0/s1