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

Systemtic Name: 8-bromanyl-3,7-dimethyl-1-[[(2S)-oxiran-2-yl]methyl]purine-2,6-dione Openeye Name: 8-bromo-3,7-dimethyl-1-[[(2S)-oxiran-2-yl]methyl]purine-2,6-dione CAS Name: 8-bromo-3,7-dimethyl-1-[[(2S)-2-oxiranyl]methyl]purine-2,6-dione IUPAC Name: 8-bromo-3,7-dimethyl-1-[[(2S)-oxiran-2-yl]methyl]purine-2,6-dione Traditional Name: 8-bromo-3,7-dimethyl-1-[[(2S)-oxiran-2-yl]methyl]xanthine Formula: C10H11BrN4O3 MolecularWeight: 315.12334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3CO3)C

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C[C@H]3CO3)C

InChI

InChI=1S/C10H11BrN4O3/c1-13-6-7(12-9(13)11)14(2)10(17)15(8(6)16)3-5-4-18-5/h5H,3-4H2,1-2H3/t5-/m0/s1