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

Systemtic Name: ethyl 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: ethyl 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)propionic acid ethyl ester Formula: C11H13BrN4O4 MolecularWeight: 345.14932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CCOC(=O)C(C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H13BrN4O4/c1-4-20-9(18)5(2)16-6-7(13-10(16)12)15(3)11(19)14-8(6)17/h5H,4H2,1-3H3,(H,14,17,19)