8-(dimethylamino)-3-methyl-7-octyl-purine-2,6-dione

Systemtic Name: 8-(dimethylamino)-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-(dimethylamino)-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(dimethylamino)-3-methyl-7-octyl-xanthine Formula: C16H27N5O2 MolecularWeight: 321.41788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H27N5O2/c1-5-6-7-8-9-10-11-21-12-13(17-15(21)19(2)3)20(4)16(23)18-14(12)22/h5-11H2,1-4H3,(H,18,22,23)