7-methyl-8-(5-oxidanylidenehexyl)-3H-purine-2,6-dione

Systemtic Name: 7-methyl-8-(5-oxidanylidenehexyl)-3H-purine-2,6-dione Openeye Name: 7-methyl-8-(5-oxohexyl)-3H-purine-2,6-dione CAS Name: 7-methyl-8-(5-oxohexyl)-3H-purine-2,6-dione IUPAC Name: 7-methyl-8-(5-oxohexyl)-3H-purine-2,6-dione Traditional Name: 8-(5-ketohexyl)-7-methyl-xanthine Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCC1=NC2=C(N1C)C(=O)NC(=O)N2

Isomeric SMILES

CC(=O)CCCCC1=NC2=C(N1C)C(=O)NC(=O)N2

InChI

InChI=1S/C12H16N4O3/c1-7(17)5-3-4-6-8-13-10-9(16(8)2)11(18)15-12(19)14-10/h3-6H2,1-2H3,(H2,14,15,18,19)