3-methyl-1-(5-methyl-5-oxidanyl-hexyl)-7-[2-(oxiran-2-yl)ethyl]purine-2,6-dione

Systemtic Name: 3-methyl-1-(5-methyl-5-oxidanyl-hexyl)-7-[2-(oxiran-2-yl)ethyl]purine-2,6-dione Openeye Name: 1-(5-hydroxy-5-methyl-hexyl)-3-methyl-7-[2-(oxiran-2-yl)ethyl]purine-2,6-dione CAS Name: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-[2-(2-oxiranyl)ethyl]purine-2,6-dione IUPAC Name: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-[2-(oxiran-2-yl)ethyl]purine-2,6-dione Traditional Name: 1-(5-hydroxy-5-methyl-hexyl)-3-methyl-7-[2-(oxiran-2-yl)ethyl]xanthine Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C(=O)C2=C(N=CN2CCC3CO3)N(C1=O)C)O

Isomeric SMILES

CC(C)(CCCCN1C(=O)C2=C(N=CN2CCC3CO3)N(C1=O)C)O

InChI

InChI=1S/C17H26N4O4/c1-17(2,24)7-4-5-8-21-15(22)13-14(19(3)16(21)23)18-11-20(13)9-6-12-10-25-12/h11-12,24H,4-10H2,1-3H3