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

Systemtic Name: methyl 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C10H11BrN4O4 MolecularWeight: 331.12274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C(=O)OC)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H11BrN4O4/c1-4(8(17)19-3)15-5-6(12-9(15)11)14(2)10(18)13-7(5)16/h4H,1-3H3,(H,13,16,18)