1-[4,5-bis(oxidanyl)pentyl]-3-butyl-7-methyl-purine-2,6-dione

Systemtic Name: 1-[4,5-bis(oxidanyl)pentyl]-3-butyl-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-1-(4,5-dihydroxypentyl)-7-methyl-purine-2,6-dione CAS Name: 3-butyl-1-(4,5-dihydroxypentyl)-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-1-(4,5-dihydroxypentyl)-7-methylpurine-2,6-dione Traditional Name: 3-butyl-1-(4,5-dihydroxypentyl)-7-methyl-xanthine Formula: C15H24N4O4 MolecularWeight: 324.37546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC(CO)O)N(C=N2)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC(CO)O)N(C=N2)C

InChI

InChI=1S/C15H24N4O4/c1-3-4-7-18-13-12(17(2)10-16-13)14(22)19(15(18)23)8-5-6-11(21)9-20/h10-11,20-21H,3-9H2,1-2H3