ethyl 2-[8-bromanyl-1-(2-ethoxy-2-oxidanylidene-ethyl)-7-methyl-2,6-bis(oxidanylidene)purin-3-yl]ethanoate

Systemtic Name: ethyl 2-[8-bromanyl-1-(2-ethoxy-2-oxidanylidene-ethyl)-7-methyl-2,6-bis(oxidanylidene)purin-3-yl]ethanoate Openeye Name: ethyl 2-[8-bromo-1-(2-ethoxy-2-oxo-ethyl)-7-methyl-2,6-dioxo-purin-3-yl]acetate CAS Name: 2-[8-bromo-1-(2-ethoxy-2-oxoethyl)-7-methyl-2,6-dioxo-3-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-bromo-1-(2-ethoxy-2-oxoethyl)-7-methyl-2,6-dioxopurin-3-yl]acetate Traditional Name: 2-[8-bromo-1-(2-ethoxy-2-keto-ethyl)-2,6-diketo-7-methyl-purin-3-yl]acetic acid ethyl ester Formula: C14H17BrN4O6 MolecularWeight: 417.21198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CC(=O)OCC)N(C(=N2)Br)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C(=O)N(C1=O)CC(=O)OCC)N(C(=N2)Br)C

InChI

InChI=1S/C14H17BrN4O6/c1-4-24-8(20)6-18-11-10(17(3)13(15)16-11)12(22)19(14(18)23)7-9(21)25-5-2/h4-7H2,1-3H3