8-[(2S)-butan-2-yl]oxy-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[(2S)-butan-2-yl]oxy-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(1S)-1-methylpropoxy]purine-2,6-dione CAS Name: 8-[(2S)-butan-2-yl]oxy-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(2S)-butan-2-yl]oxy-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(1S)-1-methylpropoxy]xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[C@H](C)OC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H18N4O3/c1-6-7(2)19-11-13-9-8(14(11)3)10(17)16(5)12(18)15(9)4/h7H,6H2,1-5H3/t7-/m0/s1