1-(5-oxidanylidenehexyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(5-oxidanylidenehexyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-(5-ketohexyl)-7H-xanthine Formula: C11H14N4O3 MolecularWeight: 250.25386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(NC1=O)N=CN2

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(NC1=O)N=CN2

InChI

InChI=1S/C11H14N4O3/c1-7(16)4-2-3-5-15-10(17)8-9(13-6-12-8)14-11(15)18/h6H,2-5H2,1H3,(H,12,13)(H,14,18)