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

Systemtic Name: 3-methyl-8-(5-oxidanylidenehexyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-methyl-8-(5-oxohexyl)purine-2,6-dione CAS Name: 3-methyl-8-(5-oxohexyl)-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(5-oxohexyl)-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-8-(5-ketohexyl)-3-methyl-xanthine Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCC1=NC2=C(N1CC(=O)C)C(=O)NC(=O)N2C

Isomeric SMILES

CC(=O)CCCCC1=NC2=C(N1CC(=O)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H20N4O4/c1-9(20)6-4-5-7-11-16-13-12(19(11)8-10(2)21)14(22)17-15(23)18(13)3/h4-8H2,1-3H3,(H,17,22,23)