7-(5-ethanoyl-6-oxidanylidene-heptyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(5-ethanoyl-6-oxidanylidene-heptyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(5-acetyl-6-oxo-heptyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(5-acetyl-6-oxoheptyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(5-acetyl-6-oxoheptyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(5-acetyl-6-keto-heptyl)-1,3-dimethyl-xanthine Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C(=O)C

Isomeric SMILES

CC(=O)C(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C(=O)C

InChI

InChI=1S/C16H22N4O4/c1-10(21)12(11(2)22)7-5-6-8-20-9-17-14-13(20)15(23)19(4)16(24)18(14)3/h9,12H,5-8H2,1-4H3