3,8-dimethyl-7-(1-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 3,8-dimethyl-7-(1-oxidanylhexyl)purine-2,6-dione Openeye Name: 7-(1-hydroxyhexyl)-3,8-dimethyl-purine-2,6-dione CAS Name: 7-(1-hydroxyhexyl)-3,8-dimethylpurine-2,6-dione IUPAC Name: 7-(1-hydroxyhexyl)-3,8-dimethylpurine-2,6-dione Traditional Name: 7-(1-hydroxyhexyl)-3,8-dimethyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(N1C(=NC2=C1C(=O)NC(=O)N2C)C)O

Isomeric SMILES

CCCCCC(N1C(=NC2=C1C(=O)NC(=O)N2C)C)O

InChI

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