[(2S)-2-acetyloxy-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl] ethanoate

Systemtic Name: [(2S)-2-acetyloxy-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propyl] ethanoate Openeye Name: [(2S)-2-acetoxy-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propyl] acetate CAS Name: acetic acid [(2S)-2-acetyloxy-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)propyl] ester IUPAC Name: [(2S)-2-acetyloxy-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl] acetate Traditional Name: acetic acid [(2S)-2-acetoxy-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)propyl] ester Formula: C14H18N4O6 MolecularWeight: 338.31592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@H](CN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC(=O)C

InChI

InChI=1S/C14H18N4O6/c1-8(19)23-6-10(24-9(2)20)5-18-7-15-12-11(18)13(21)17(4)14(22)16(12)3/h7,10H,5-6H2,1-4H3/t10-/m0/s1