tert-butyl (3S)-3-(6-chloranyl-2-oxidanylidene-3H-imidazo[4,5-b]pyridin-3a-yl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(6-chloranyl-2-oxidanylidene-3H-imidazo[4,5-b]pyridin-3a-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-3a-yl)pyrrolidine-1-carboxylate CAS Name: (3S)-3-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-3a-yl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(6-chloro-2-oxo-3H-imidazo[4,5-b]pyridin-3a-yl)pyrrolidine-1-carboxylate Traditional Name: (3S)-3-(6-chloro-2-keto-3H-imidazo[4,5-b]pyridin-3a-yl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C15H19ClN4O3 MolecularWeight: 338.78936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)C23C(=NC(=O)N2)C=C(C=N3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)C23C(=NC(=O)N2)C=C(C=N3)Cl

InChI

InChI=1S/C15H19ClN4O3/c1-14(2,3)23-13(22)20-5-4-9(8-20)15-11(18-12(21)19-15)6-10(16)7-17-15/h6-7,9H,4-5,8H2,1-3H3,(H,19,21)/t9-,15?/m0/s1