dimethyl 3-chloranyl-4-oxidanylidene-1-[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]azetidine-2,2-dicarboxylate

Systemtic Name: dimethyl 3-chloranyl-4-oxidanylidene-1-[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]azetidine-2,2-dicarboxylate Openeye Name: dimethyl 3-chloro-4-oxo-1-[(6-oxo-3,7-dihydropurin-2-yl)amino]azetidine-2,2-dicarboxylate CAS Name: 3-chloro-4-oxo-1-[(6-oxo-3,7-dihydropurin-2-yl)amino]azetidine-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-chloro-4-oxo-1-[(6-oxo-3,7-dihydropurin-2-yl)amino]azetidine-2,2-dicarboxylate Traditional Name: 3-chloro-4-keto-1-[(6-keto-3,7-dihydropurin-2-yl)amino]azetidine-2,2-dicarboxylic acid dimethyl ester Formula: C12H11ClN6O6 MolecularWeight: 370.70534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C(=O)N1NC2=NC(=O)C3=C(N2)N=CN3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1(C(C(=O)N1NC2=NC(=O)C3=C(N2)N=CN3)Cl)C(=O)OC

InChI

InChI=1S/C12H11ClN6O6/c1-24-9(22)12(10(23)25-2)5(13)8(21)19(12)18-11-16-6-4(7(20)17-11)14-3-15-6/h3,5H,1-2H3,(H3,14,15,16,17,18,20)