O1-tert-butyl O4-(phenylmethyl) 2-[[4-(benzimidazol-1-yl)-5-bromanyl-pyrimidin-2-yl]-ethyl-amino]piperazine-1,4-dicarboxylate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) 2-[[4-(benzimidazol-1-yl)-5-bromanyl-pyrimidin-2-yl]-ethyl-amino]piperazine-1,4-dicarboxylate Openeye Name: O4-benzyl O1-tert-butyl 2-[[4-(benzimidazol-1-yl)-5-bromo-pyrimidin-2-yl]-ethyl-amino]piperazine-1,4-dicarboxylate CAS Name: 2-[[4-(1-benzimidazolyl)-5-bromo-2-pyrimidinyl]-ethylamino]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)-5-bromopyrimidin-2-yl]-ethylamino]piperazine-1,4-dicarboxylate Traditional Name: 2-[[4-(benzimidazol-1-yl)-5-bromo-pyrimidin-2-yl]-ethyl-amino]piperazine-1,4-dicarboxylic acid O4-benzyl ester O1-tert-butyl ester Formula: C30H34BrN7O4 MolecularWeight: 636.53946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2)C3=NC=C(C(=N3)N4C=NC5=CC=CC=C54)Br

Isomeric SMILES

CCN(C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2)C3=NC=C(C(=N3)N4C=NC5=CC=CC=C54)Br

InChI

InChI=1S/C30H34BrN7O4/c1-5-36(27-32-17-22(31)26(34-27)38-20-33-23-13-9-10-14-24(23)38)25-18-35(15-16-37(25)29(40)42-30(2,3)4)28(39)41-19-21-11-7-6-8-12-21/h6-14,17,20,25H,5,15-16,18-19H2,1-4H3