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

Systemtic Name: 3-methyl-1-(5-methyl-5-oxidanyl-hexyl)-7-(propoxymethyl)purine-2,6-dione Openeye Name: 1-(5-hydroxy-5-methyl-hexyl)-3-methyl-7-(propoxymethyl)purine-2,6-dione CAS Name: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-(propoxymethyl)purine-2,6-dione IUPAC Name: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-(propoxymethyl)purine-2,6-dione Traditional Name: 1-(5-hydroxy-5-methyl-hexyl)-3-methyl-7-(propoxymethyl)xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O

Isomeric SMILES

CCCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O

InChI

InChI=1S/C17H28N4O4/c1-5-10-25-12-20-11-18-14-13(20)15(22)21(16(23)19(14)4)9-7-6-8-17(2,3)24/h11,24H,5-10,12H2,1-4H3