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

Systemtic Name: 3,7-dimethyl-1-[[(2S)-oxiran-2-yl]methyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[[(2S)-oxiran-2-yl]methyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[[(2S)-2-oxiranyl]methyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[[(2S)-oxiran-2-yl]methyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[[(2S)-oxiran-2-yl]methyl]xanthine Formula: C10H12N4O3 MolecularWeight: 236.22728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC3CO3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C[C@H]3CO3

InChI

InChI=1S/C10H12N4O3/c1-12-5-11-8-7(12)9(15)14(3-6-4-17-6)10(16)13(8)2/h5-6H,3-4H2,1-2H3/t6-/m0/s1