tert-butyl 4-[[4-(benzimidazol-1-yl)-5-chloranyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(benzimidazol-1-yl)-5-chloranyl-pyrimidin-2-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(benzimidazol-1-yl)-5-chloro-pyrimidin-2-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-(1-benzimidazolyl)-5-chloro-2-pyrimidinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(benzimidazol-1-yl)-5-chloropyrimidin-2-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-(benzimidazol-1-yl)-5-chloro-pyrimidin-2-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H25ClN6O2 MolecularWeight: 428.9152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N3C=NC4=CC=CC=C43)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N3C=NC4=CC=CC=C43)Cl

InChI

InChI=1S/C21H25ClN6O2/c1-21(2,3)30-20(29)27-10-8-14(9-11-27)25-19-23-12-15(22)18(26-19)28-13-24-16-6-4-5-7-17(16)28/h4-7,12-14H,8-11H2,1-3H3,(H,23,25,26)