ethyl 2-carbonocyanidoyl-3-chloranyl-4-oxidanylidene-1-[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]azetidine-2-carboxylate

Systemtic Name: ethyl 2-carbonocyanidoyl-3-chloranyl-4-oxidanylidene-1-[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]azetidine-2-carboxylate Openeye Name: ethyl 2-carbonocyanidoyl-3-chloro-4-oxo-1-[(6-oxo-3,7-dihydropurin-2-yl)amino]azetidine-2-carboxylate CAS Name: 2-carbonocyanidoyl-3-chloro-4-oxo-1-[(6-oxo-3,7-dihydropurin-2-yl)amino]-2-azetidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-carbonocyanidoyl-3-chloro-4-oxo-1-[(6-oxo-3,7-dihydropurin-2-yl)amino]azetidine-2-carboxylate Traditional Name: 2-carbonocyanidoyl-3-chloro-4-keto-1-[(6-keto-3,7-dihydropurin-2-yl)amino]azetidine-2-carboxylic acid ethyl ester Formula: C13H10ClN7O5 MolecularWeight: 379.7154

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN7O5/c1-2-26-11(25)13(5(22)3-15)7(14)10(24)21(13)20-12-18-8-6(9(23)19-12)16-4-17-8/h4,7H,2H2,1H3,(H3,16,17,18,19,20,23)