3,7-dimethyl-1-(6-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(6-oxidanylhexyl)purine-2,6-dione Openeye Name: 1-(6-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(6-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(6-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(6-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCO

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCO

InChI

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