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

Systemtic Name: ethyl 3-chloranyl-2-ethanoyl-4-oxidanylidene-1-[(6-oxidanylidene-3,7-dihydropurin-2-yl)amino]azetidine-2-carboxylate Openeye Name: ethyl 2-acetyl-3-chloro-4-oxo-1-[(6-oxo-3,7-dihydropurin-2-yl)amino]azetidine-2-carboxylate CAS Name: 2-acetyl-3-chloro-4-oxo-1-[(6-oxo-3,7-dihydropurin-2-yl)amino]-2-azetidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-chloro-4-oxo-1-[(6-oxo-3,7-dihydropurin-2-yl)amino]azetidine-2-carboxylate Traditional Name: 2-acetyl-3-chloro-4-keto-1-[(6-keto-3,7-dihydropurin-2-yl)amino]azetidine-2-carboxylic acid ethyl ester Formula: C13H13ClN6O5 MolecularWeight: 368.73252

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN6O5/c1-3-25-11(24)13(5(2)21)7(14)10(23)20(13)19-12-17-8-6(9(22)18-12)15-4-16-8/h4,7H,3H2,1-2H3,(H3,15,16,17,18,19,22)