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

Systemtic Name: 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl ethanoate Openeye Name: 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)ethyl acetate CAS Name: acetic acid 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethyl acetate Traditional Name: acetic acid 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)ethyl ester Formula: C10H11BrN4O4 MolecularWeight: 331.12274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=O)OCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H11BrN4O4/c1-5(16)19-4-3-15-6-7(12-9(15)11)14(2)10(18)13-8(6)17/h3-4H2,1-2H3,(H,13,17,18)