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

Systemtic Name: ethyl 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: ethyl 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid ethyl ester Formula: C11H13BrN4O4 MolecularWeight: 345.14932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H13BrN4O4/c1-4-20-6(17)5-16-7-8(13-10(16)12)14(2)11(19)15(3)9(7)18/h4-5H2,1-3H3