7,8-dimethyl-1-(5-oxidanylidenehexyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7,8-dimethyl-1-(5-oxidanylidenehexyl)-3-propyl-purine-2,6-dione Openeye Name: 7,8-dimethyl-1-(5-oxohexyl)-3-propyl-purine-2,6-dione CAS Name: 7,8-dimethyl-1-(5-oxohexyl)-3-propylpurine-2,6-dione IUPAC Name: 7,8-dimethyl-1-(5-oxohexyl)-3-propylpurine-2,6-dione Traditional Name: 1-(5-ketohexyl)-7,8-dimethyl-3-propyl-xanthine Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCCCC(=O)C)N(C(=N2)C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCCCC(=O)C)N(C(=N2)C)C

InChI

InChI=1S/C16H24N4O3/c1-5-9-19-14-13(18(4)12(3)17-14)15(22)20(16(19)23)10-7-6-8-11(2)21/h5-10H2,1-4H3