3-butyl-1-(5-oxidanylidenehexyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-(5-oxidanylidenehexyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-(5-oxohexyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-(5-oxohexyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-(5-ketohexyl)-7-propyl-xanthine Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCCC(=O)C)N(C=N2)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCCC(=O)C)N(C=N2)CCC

InChI

InChI=1S/C18H28N4O3/c1-4-6-11-21-16-15(20(10-5-2)13-19-16)17(24)22(18(21)25)12-8-7-9-14(3)23/h13H,4-12H2,1-3H3