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

Systemtic Name: 3-methyl-8-(5-oxidanylidenehexyl)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-(5-oxohexyl)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-(5-oxohexyl)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-(5-oxohexyl)-7-propylpurine-2,6-dione Traditional Name: 8-(5-ketohexyl)-3-methyl-7-propyl-xanthine Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)NC(=O)N2C)CCCCC(=O)C

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)NC(=O)N2C)CCCCC(=O)C

InChI

InChI=1S/C15H22N4O3/c1-4-9-19-11(8-6-5-7-10(2)20)16-13-12(19)14(21)17-15(22)18(13)3/h4-9H2,1-3H3,(H,17,21,22)