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

Systemtic Name: 3-methyl-7-(5-methyl-5-oxidanyl-hexyl)-1-propyl-purine-2,6-dione Openeye Name: 7-(5-hydroxy-5-methyl-hexyl)-3-methyl-1-propyl-purine-2,6-dione CAS Name: 7-(5-hydroxy-5-methylhexyl)-3-methyl-1-propylpurine-2,6-dione IUPAC Name: 7-(5-hydroxy-5-methylhexyl)-3-methyl-1-propylpurine-2,6-dione Traditional Name: 7-(5-hydroxy-5-methyl-hexyl)-3-methyl-1-propyl-xanthine Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CCCCC(C)(C)O)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CCCCC(C)(C)O)N(C1=O)C

InChI

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