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

Systemtic Name: tert-butyl 4-(4-chloranyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate CAS Name: 4-(4-chloro-5-iodo-7-pyrrolo[2,3-d]pyrimidinyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate Traditional Name: 4-(4-chloro-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C16H20ClIN4O2 MolecularWeight: 462.71307

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C3=C2N=CN=C3Cl)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(C3=C2N=CN=C3Cl)I

InChI

InChI=1S/C16H20ClIN4O2/c1-16(2,3)24-15(23)21-6-4-10(5-7-21)22-8-11(18)12-13(17)19-9-20-14(12)22/h8-10H,4-7H2,1-3H3