[2-(acetyloxymethyl)-4-(2-azanylpurin-9-yl)-3,3,4,4-tetradeuterio-butyl] ethanoate

Systemtic Name: [2-(acetyloxymethyl)-4-(2-azanylpurin-9-yl)-3,3,4,4-tetradeuterio-butyl] ethanoate Openeye Name: [2-(acetoxymethyl)-4-(2-aminopurin-9-yl)-3,3,4,4-tetradeuterio-butyl] acetate CAS Name: acetic acid [2-(acetyloxymethyl)-4-(2-amino-9-purinyl)-3,3,4,4-tetradeuteriobutyl] ester IUPAC Name: [2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)-3,3,4,4-tetradeuteriobutyl] acetate Traditional Name: acetic acid [2-(acetoxymethyl)-4-(2-aminopurin-9-yl)-3,3,4,4-tetradeuterio-butyl] ester Formula: C14H19N5O4 MolecularWeight: 325.356407

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C

Isomeric SMILES

[2H]C([2H])(C(COC(=O)C)COC(=O)C)C([2H])([2H])N1C=NC2=CN=C(N=C21)N

InChI

InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)/i3D2,4D2