2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)acetate IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetate Formula: C9H8ClN4O4- MolecularWeight: 271.63722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC(=O)[O-]

InChI

InChI=1S/C9H9ClN4O4/c1-12-6-5(7(17)13(2)9(12)18)14(3-4(15)16)8(10)11-6/h3H2,1-2H3,(H,15,16)/p-1