2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-1-(2,2-diethoxyethyl)purin-6-one

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-1-(2,2-diethoxyethyl)purin-6-one Openeye Name: 2-amino-1-(2,2-diethoxyethyl)-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]purin-6-one CAS Name: 2-amino-1-(2,2-diethoxyethyl)-9-(1,3-dihydroxypropan-2-yloxymethyl)-6-purinone IUPAC Name: 2-amino-1-(2,2-diethoxyethyl)-9-(1,3-dihydroxypropan-2-yloxymethyl)purin-6-one Traditional Name: 2-amino-1-(2,2-diethoxyethyl)-9-[(2-hydroxy-1-methylol-ethoxy)methyl]purin-6-one Formula: C15H25N5O6 MolecularWeight: 371.3889

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN1C(=O)C2=C(N=C1N)N(C=N2)COC(CO)CO)OCC

Isomeric SMILES

CCOC(CN1C(=O)C2=C(N=C1N)N(C=N2)COC(CO)CO)OCC

InChI

InChI=1S/C15H25N5O6/c1-3-24-11(25-4-2)5-20-14(23)12-13(18-15(20)16)19(8-17-12)9-26-10(6-21)7-22/h8,10-11,21-22H,3-7,9H2,1-2H3,(H2,16,18)