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

Systemtic Name: tert-butyl (3S)-3-(4-chloranyl-5-cyclobutylcarbonyl-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[4-chloro-5-(cyclobutanecarbonyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate CAS Name: (3S)-3-[4-chloro-5-[cyclobutyl(oxo)methyl]-7-pyrrolo[2,3-d]pyrimidinyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[4-chloro-5-(cyclobutanecarbonyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylate Traditional Name: (3S)-3-[4-chloro-5-(cyclobutanecarbonyl)pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N2C=C(C3=C2N=CN=C3Cl)C(=O)C4CCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)N2C=C(C3=C2N=CN=C3Cl)C(=O)C4CCC4

InChI

InChI=1S/C20H25ClN4O3/c1-20(2,3)28-19(27)24-8-7-13(9-24)25-10-14(16(26)12-5-4-6-12)15-17(21)22-11-23-18(15)25/h10-13H,4-9H2,1-3H3/t13-/m0/s1