7-butyl-3-methyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 7-butyl-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-purine-2,6-dione CAS Name: 7-butyl-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione IUPAC Name: 7-butyl-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione Traditional Name: 7-butyl-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-xanthine Formula: C17H28N4O3 MolecularWeight: 336.42922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O

InChI

InChI=1S/C17H28N4O3/c1-5-6-10-20-12-18-14-13(20)15(22)21(16(23)19(14)4)11-8-7-9-17(2,3)24/h12,24H,5-11H2,1-4H3