2-azanyl-9-[(1,1,2,2-tetradeuterio-2-oxidanyl-ethoxy)methyl]-4,5-dihydro-1H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1,1,2,2-tetradeuterio-2-oxidanyl-ethoxy)methyl]-4,5-dihydro-1H-purin-6-one Openeye Name: 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxy-ethoxy)methyl]-4,5-dihydro-1H-purin-6-one CAS Name: 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-4,5-dihydro-1H-purin-6-one IUPAC Name: 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-4,5-dihydro-1H-purin-6-one Traditional Name: 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxy-ethoxy)methyl]-4,5-dihydro-1H-purin-6-one Formula: C8H13N5O3 MolecularWeight: 231.245167

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(N1COCCO)N=C(NC2=O)N

Isomeric SMILES

[2H]C([2H])(C([2H])([2H])OCN1C=NC2C1N=C(NC2=O)N)O

InChI

InChI=1S/C8H13N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,5-6,14H,1-2,4H2,(H3,9,11,12,15)/i1D2,2D2