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

Systemtic Name: 7-butyl-3-ethyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 7-butyl-3-ethyl-1-(5-hydroxy-5-methyl-hexyl)purine-2,6-dione CAS Name: 7-butyl-3-ethyl-1-(5-hydroxy-5-methylhexyl)purine-2,6-dione IUPAC Name: 7-butyl-3-ethyl-1-(5-hydroxy-5-methylhexyl)purine-2,6-dione Traditional Name: 7-butyl-3-ethyl-1-(5-hydroxy-5-methyl-hexyl)xanthine Formula: C18H30N4O3 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCC(C)(C)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCC(C)(C)O

InChI

InChI=1S/C18H30N4O3/c1-5-7-11-20-13-19-15-14(20)16(23)22(17(24)21(15)6-2)12-9-8-10-18(3,4)25/h13,25H,5-12H2,1-4H3