3-ethyl-7-methyl-1-(6-methyl-6-oxidanyl-heptyl)purine-2,6-dione

Systemtic Name: 3-ethyl-7-methyl-1-(6-methyl-6-oxidanyl-heptyl)purine-2,6-dione Openeye Name: 3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7-methyl-purine-2,6-dione CAS Name: 3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-methylpurine-2,6-dione IUPAC Name: 3-ethyl-1-(6-hydroxy-6-methylheptyl)-7-methylpurine-2,6-dione Traditional Name: 3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7-methyl-xanthine Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCCC(C)(C)O)N(C=N2)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCCC(C)(C)O)N(C=N2)C

InChI

InChI=1S/C16H26N4O3/c1-5-19-13-12(18(4)11-17-13)14(21)20(15(19)22)10-8-6-7-9-16(2,3)23/h11,23H,5-10H2,1-4H3