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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11BrN4O4/c1-14-7-6(8(17)13-10(14)18)15(9(11)12-7)4-3-5(16)19-2/h3-4H2,1-2H3,(H,13,17,18)