tert-butyl 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperazine-1-carboxylate Openeye Name: tert-butyl 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperazine-1-carboxylate CAS Name: 3-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-ethylamino]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethylamino]piperazine-1-carboxylate Traditional Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29N7O2 MolecularWeight: 423.51136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CN(CCN1)C(=O)OC(C)(C)C)C2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCN(C1CN(CCN1)C(=O)OC(C)(C)C)C2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H29N7O2/c1-5-28(19-14-27(13-12-23-19)21(30)31-22(2,3)4)20-24-11-10-18(26-20)29-15-25-16-8-6-7-9-17(16)29/h6-11,15,19,23H,5,12-14H2,1-4H3