3-methyl-1-(5-methyl-5-oxidanyl-hexyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-methyl-5-oxidanyl-hexyl)-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-purine-2,6-dione CAS Name: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-xanthine Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O

Isomeric SMILES

CC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O

InChI

InChI=1S/C16H24N4O4/c1-11(21)9-19-10-17-13-12(19)14(22)20(15(23)18(13)4)8-6-5-7-16(2,3)24/h10,24H,5-9H2,1-4H3