3-butyl-1-(3-oxidanylidenebutyl)-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-(3-oxidanylidenebutyl)-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-1-(3-oxobutyl)-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-1-(3-oxobutyl)-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-1-(3-oxobutyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-1-(3-ketobutyl)xanthine Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CCC(=O)C

Isomeric SMILES

CCCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CCC(=O)C

InChI

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