tert-butyl (3S)-3-(4-chloranyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(4-chloranyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-(4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate CAS Name: (3S)-3-(4-chloro-5-iodo-7-pyrrolo[2,3-d]pyrimidinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate Traditional Name: (3S)-3-(4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C15H18ClIN4O2 MolecularWeight: 448.68649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N2C=C(C3=C2N=CN=C3Cl)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)N2C=C(C3=C2N=CN=C3Cl)I

InChI

InChI=1S/C15H18ClIN4O2/c1-15(2,3)23-14(22)20-5-4-9(6-20)21-7-10(17)11-12(16)18-8-19-13(11)21/h7-9H,4-6H2,1-3H3/t9-/m0/s1