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

Systemtic Name: diethyl 3-chloranyl-4-oxidanylidene-1-[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]azetidine-2,2-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C14H15ClN6O6 MolecularWeight: 398.7585

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(=O)N1NC2=NC(=O)C3=C(N2)N=CN3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(C(C(=O)N1NC2=NC(=O)C3=C(N2)N=CN3)Cl)C(=O)OCC

InChI

InChI=1S/C14H15ClN6O6/c1-3-26-11(24)14(12(25)27-4-2)7(15)10(23)21(14)20-13-18-8-6(9(22)19-13)16-5-17-8/h5,7H,3-4H2,1-2H3,(H3,16,17,18,19,20,22)