N-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[2-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]ethyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide Openeye Name: N-[2-(3,5-dibromo-4-hydroxy-phenyl)ethyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide CAS Name: N-[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]-4-(2-pyrimidinyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(3,5-dibromo-4-hydroxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide Traditional Name: N-[2-(3,5-dibromo-4-hydroxy-phenyl)ethyl]-4-(2-pyrimidyl)piperazine-1-carboxamide Formula: C17H19Br2N5O2 MolecularWeight: 485.17306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)NCCC3=CC(=C(C(=C3)Br)O)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)NCCC3=CC(=C(C(=C3)Br)O)Br

InChI

InChI=1S/C17H19Br2N5O2/c18-13-10-12(11-14(19)15(13)25)2-5-22-17(26)24-8-6-23(7-9-24)16-20-3-1-4-21-16/h1,3-4,10-11,25H,2,5-9H2,(H,22,26)