tert-butyl (2S)-2-[(6-chloranyl-5-pyrimidin-5-yl-pyridin-3-yl)oxymethyl]azetidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(6-chloranyl-5-pyrimidin-5-yl-pyridin-3-yl)oxymethyl]azetidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(6-chloro-5-pyrimidin-5-yl-3-pyridyl)oxymethyl]azetidine-1-carboxylate CAS Name: (2S)-2-[[6-chloro-5-(5-pyrimidinyl)-3-pyridinyl]oxymethyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(6-chloro-5-pyrimidin-5-ylpyridin-3-yl)oxymethyl]azetidine-1-carboxylate Traditional Name: (2S)-2-[[6-chloro-5-(5-pyrimidyl)-3-pyridyl]oxymethyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC1COC2=CN=C(C(=C2)C3=CN=CN=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[C@H]1COC2=CN=C(C(=C2)C3=CN=CN=C3)Cl

InChI

InChI=1S/C18H21ClN4O3/c1-18(2,3)26-17(24)23-5-4-13(23)10-25-14-6-15(16(19)22-9-14)12-7-20-11-21-8-12/h6-9,11,13H,4-5,10H2,1-3H3/t13-/m0/s1