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

Systemtic Name: 1-(3,7-dimethyl-6-oxidanyl-octyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(6-hydroxy-3,7-dimethyl-octyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(6-hydroxy-3,7-dimethyloctyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(6-hydroxy-3,7-dimethyloctyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(6-hydroxy-3,7-dimethyl-octyl)-3,7-dimethyl-xanthine Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(C)C(CCC(C)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C17H28N4O3/c1-11(2)13(22)7-6-12(3)8-9-21-16(23)14-15(18-10-19(14)4)20(5)17(21)24/h10-13,22H,6-9H2,1-5H3