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

Systemtic Name: 1-(5-oxidanylhexyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3,7-dihydropurine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3,7-dihydropurine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-7H-xanthine Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N4O3/c1-7(16)4-2-3-5-15-10(17)8-9(13-6-12-8)14-11(15)18/h6-7,16H,2-5H2,1H3,(H,12,13)(H,14,18)