methyl 2-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]amino]acetate CAS Name: 2-[[2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]amino]acetic acid methyl ester Formula: C12H14BrN5O5 MolecularWeight: 388.17406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NCC(=O)OC)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NCC(=O)OC)Br

InChI

InChI=1S/C12H14BrN5O5/c1-16-9-8(10(21)17(2)12(16)22)15-11(13)18(9)5-6(19)14-4-7(20)23-3/h4-5H2,1-3H3,(H,14,19)