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

Systemtic Name: 1-but-3-enyl-3-ethyl-7-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 1-but-3-enyl-3-ethyl-7-(5-hydroxy-5-methyl-hexyl)purine-2,6-dione CAS Name: 1-but-3-enyl-3-ethyl-7-(5-hydroxy-5-methylhexyl)purine-2,6-dione IUPAC Name: 1-but-3-enyl-3-ethyl-7-(5-hydroxy-5-methylhexyl)purine-2,6-dione Traditional Name: 1-but-3-enyl-3-ethyl-7-(5-hydroxy-5-methyl-hexyl)xanthine Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCC=C)N(C=N2)CCCCC(C)(C)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCC=C)N(C=N2)CCCCC(C)(C)O

InChI

InChI=1S/C18H28N4O3/c1-5-7-12-22-16(23)14-15(21(6-2)17(22)24)19-13-20(14)11-9-8-10-18(3,4)25/h5,13,25H,1,6-12H2,2-4H3