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

Systemtic Name: 3-methyl-7-(5-oxidanylidenehexyl)-1-propyl-purine-2,6-dione Openeye Name: 3-methyl-7-(5-oxohexyl)-1-propyl-purine-2,6-dione CAS Name: 3-methyl-7-(5-oxohexyl)-1-propylpurine-2,6-dione IUPAC Name: 3-methyl-7-(5-oxohexyl)-1-propylpurine-2,6-dione Traditional Name: 7-(5-ketohexyl)-3-methyl-1-propyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CCCCC(=O)C)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CCCCC(=O)C)N(C1=O)C

InChI

InChI=1S/C15H22N4O3/c1-4-8-19-14(21)12-13(17(3)15(19)22)16-10-18(12)9-6-5-7-11(2)20/h10H,4-9H2,1-3H3