3-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid

Systemtic Name: 3-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoic acid Openeye Name: 3-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoic acid CAS Name: 3-(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid IUPAC Name: 3-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)propanoic acid Traditional Name: 3-(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid Formula: C10H11BrN4O4 MolecularWeight: 331.12274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCC(=O)O

InChI

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