tert-butyl (3S)-3-[[6-(2-azanylbenzimidazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[6-(2-azanylbenzimidazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate CAS Name: (3S)-3-[[6-(2-amino-1-benzimidazolyl)-4-pyrimidinyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate Traditional Name: (3S)-3-[[6-(2-aminobenzimidazol-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)NC2=NC=NC(=C2)N3C4=CC=CC=C4N=C3N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)NC2=NC=NC(=C2)N3C4=CC=CC=C4N=C3N

InChI

InChI=1S/C21H27N7O2/c1-21(2,3)30-20(29)27-10-6-7-14(12-27)25-17-11-18(24-13-23-17)28-16-9-5-4-8-15(16)26-19(28)22/h4-5,8-9,11,13-14H,6-7,10,12H2,1-3H3,(H2,22,26)(H,23,24,25)/t14-/m0/s1