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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C

Isomeric SMILES

CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(=O)C

InChI

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