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

Systemtic Name: 3-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-phenyl-5H-imidazo[1,2-a]purin-9-one Openeye Name: 3-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-phenyl-5H-imidazo[1,2-a]purin-9-one CAS Name: 3-(1,3-dihydroxypropan-2-yloxymethyl)-6-phenyl-5H-imidazo[1,2-a]purin-9-one IUPAC Name: 3-(1,3-dihydroxypropan-2-yloxymethyl)-6-phenyl-5H-imidazo[1,2-a]purin-9-one Traditional Name: 3-[(2-hydroxy-1-methylol-ethoxy)methyl]-6-phenyl-5H-imidazo[1,2-a]purin-9-one Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COC(CO)CO

Isomeric SMILES

C1=CC=C(C=C1)C2=CN3C(=O)C4=C(N=C3N2)N(C=N4)COC(CO)CO

InChI

InChI=1S/C17H17N5O4/c23-7-12(8-24)26-10-21-9-18-14-15(21)20-17-19-13(6-22(17)16(14)25)11-4-2-1-3-5-11/h1-6,9,12,23-24H,7-8,10H2,(H,19,20)