3-methyl-7-(7-oxidanylheptyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(7-oxidanylheptyl)purine-2,6-dione Openeye Name: 7-(7-hydroxyheptyl)-3-methyl-purine-2,6-dione CAS Name: 7-(7-hydroxyheptyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(7-hydroxyheptyl)-3-methylpurine-2,6-dione Traditional Name: 7-(7-hydroxyheptyl)-3-methyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCCCCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCCCCO

InChI

InChI=1S/C13H20N4O3/c1-16-11-10(12(19)15-13(16)20)17(9-14-11)7-5-3-2-4-6-8-18/h9,18H,2-8H2,1H3,(H,15,19,20)