3-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-tert-butyl-5H-imidazo[1,2-a]purin-9-one

Systemtic Name: 3-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-tert-butyl-5H-imidazo[1,2-a]purin-9-one Openeye Name: 6-tert-butyl-3-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5H-imidazo[1,2-a]purin-9-one CAS Name: 6-tert-butyl-3-(1,3-dihydroxypropan-2-yloxymethyl)-5H-imidazo[1,2-a]purin-9-one IUPAC Name: 6-tert-butyl-3-(1,3-dihydroxypropan-2-yloxymethyl)-5H-imidazo[1,2-a]purin-9-one Traditional Name: 6-tert-butyl-3-[(2-hydroxy-1-methylol-ethoxy)methyl]-5H-imidazo[1,2-a]purin-9-one Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN2C(=O)C3=C(N=C2N1)N(C=N3)COC(CO)CO

Isomeric SMILES

CC(C)(C)C1=CN2C(=O)C3=C(N=C2N1)N(C=N3)COC(CO)CO

InChI

InChI=1S/C15H21N5O4/c1-15(2,3)10-4-20-13(23)11-12(18-14(20)17-10)19(7-16-11)8-24-9(5-21)6-22/h4,7,9,21-22H,5-6,8H2,1-3H3,(H,17,18)