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

Systemtic Name: methyl 2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: methyl 2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)acetic acid methyl ester IUPAC Name: methyl 2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)acetic acid methyl ester Formula: C9H9BrN4O4 MolecularWeight: 317.09616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(=O)OC

InChI

InChI=1S/C9H9BrN4O4/c1-13-6-5(7(16)12-9(13)17)14(8(10)11-6)3-4(15)18-2/h3H2,1-2H3,(H,12,16,17)