[2-[(2-acetamido-6-oxidanylidene-3H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterio-ethyl] ethanoate

Systemtic Name: [2-[(2-acetamido-6-oxidanylidene-3H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterio-ethyl] ethanoate Openeye Name: [2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterio-ethyl] acetate CAS Name: acetic acid [2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] ester IUPAC Name: [2-[(2-acetamido-6-oxo-3H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] acetate Traditional Name: acetic acid [2-[(2-acetamido-6-keto-3H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterio-ethyl] ester Formula: C12H15N5O5 MolecularWeight: 313.302647

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)COCCOC(=O)C

Isomeric SMILES

[2H]C([2H])(C([2H])([2H])OC(=O)C)OCN1C=NC2=C1NC(=NC2=O)NC(=O)C

InChI

InChI=1S/C12H15N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)13-5-17(10)6-21-3-4-22-8(2)19/h5H,3-4,6H2,1-2H3,(H2,14,15,16,18,20)/i3D2,4D2