7-(6-ethanoyl-7-oxidanylidene-octyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(6-ethanoyl-7-oxidanylidene-octyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(6-acetyl-7-oxo-octyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(6-acetyl-7-oxooctyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(6-acetyl-7-oxooctyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(6-acetyl-7-keto-octyl)-1,3-dimethyl-xanthine Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C(=O)C

Isomeric SMILES

CC(=O)C(CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C(=O)C

InChI

InChI=1S/C17H24N4O4/c1-11(22)13(12(2)23)8-6-5-7-9-21-10-18-15-14(21)16(24)20(4)17(25)19(15)3/h10,13H,5-9H2,1-4H3