3-butyl-8-(hydroxymethyl)-1-(2-methyl-2-oxidanyl-propyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(hydroxymethyl)-1-(2-methyl-2-oxidanyl-propyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-(hydroxymethyl)-1-(2-hydroxy-2-methyl-propyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-(hydroxymethyl)-1-(2-hydroxy-2-methylpropyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-(2-hydroxy-2-methyl-propyl)-8-methylol-7-propyl-xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(C)(C)O)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(C)(C)O)N(C(=N2)CO)CCC

InChI

InChI=1S/C17H28N4O4/c1-5-7-9-20-14-13(19(8-6-2)12(10-22)18-14)15(23)21(16(20)24)11-17(3,4)25/h22,25H,5-11H2,1-4H3