O1-tert-butyl O4-(phenylmethyl) 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]piperazine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]piperazine-1,4-dicarboxylate Openeye Name: O4-benzyl O1-tert-butyl 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]piperazine-1,4-dicarboxylate CAS Name: 2-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-methylamino]piperazine-1,4-dicarboxylic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperazine-1,4-dicarboxylate Traditional Name: 2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]piperazine-1,4-dicarboxylic acid O4-benzyl ester O1-tert-butyl ester Formula: C29H33N7O4 MolecularWeight: 543.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1N(C)C2=NC=CC(=N2)N3C=NC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1N(C)C2=NC=CC(=N2)N3C=NC4=CC=CC=C43)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H33N7O4/c1-29(2,3)40-28(38)35-17-16-34(27(37)39-19-21-10-6-5-7-11-21)18-25(35)33(4)26-30-15-14-24(32-26)36-20-31-22-12-8-9-13-23(22)36/h5-15,20,25H,16-19H2,1-4H3