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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2CCCCC(=O)C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2CCCCC(=O)C)N(C1=O)C

InChI

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