7-(3-ethanoyl-4-oxidanylidene-pentyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(3-ethanoyl-4-oxidanylidene-pentyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(3-acetyl-4-oxo-pentyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(3-acetyl-4-oxopentyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-acetyl-4-oxopentyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-acetyl-4-keto-pentyl)-1,3-dimethyl-xanthine Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C(=O)C

Isomeric SMILES

CC(=O)C(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C(=O)C

InChI

InChI=1S/C14H18N4O4/c1-8(19)10(9(2)20)5-6-18-7-15-12-11(18)13(21)17(4)14(22)16(12)3/h7,10H,5-6H2,1-4H3