[(2S)-1-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]-3-phenoxy-propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]-3-phenoxy-propan-2-yl] ethanoate Openeye Name: [(1S)-1-[(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)methyl]-2-phenoxy-ethyl] acetate CAS Name: acetic acid [(2S)-1-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)-3-phenoxypropan-2-yl] ester IUPAC Name: [(2S)-1-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)-3-phenoxypropan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-[(8-bromo-2,6-diketo-3-methyl-purin-7-yl)methyl]-2-phenoxy-ethyl] ester Formula: C17H17BrN4O5 MolecularWeight: 437.24468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CN1C2=C(N=C1Br)N(C(=O)NC2=O)C)COC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@H](CN1C2=C(N=C1Br)N(C(=O)NC2=O)C)COC3=CC=CC=C3

InChI

InChI=1S/C17H17BrN4O5/c1-10(23)27-12(9-26-11-6-4-3-5-7-11)8-22-13-14(19-16(22)18)21(2)17(25)20-15(13)24/h3-7,12H,8-9H2,1-2H3,(H,20,24,25)/t12-/m0/s1