N-[(3-bromophenyl)methyl]-4-[2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide

Systemtic Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide Openeye Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide CAS Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(2-pyrimidinylamino)ethylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(pyrimidin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide Traditional Name: N-(3-bromobenzyl)-4-[2-[2-(2-pyrimidylamino)ethylamino]pyrimidin-4-yl]benzamide Formula: C24H22BrN7O MolecularWeight: 504.38178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NCCNC4=NC=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NCCNC4=NC=CC=N4

InChI

InChI=1S/C24H22BrN7O/c25-20-4-1-3-17(15-20)16-31-22(33)19-7-5-18(6-8-19)21-9-12-28-24(32-21)30-14-13-29-23-26-10-2-11-27-23/h1-12,15H,13-14,16H2,(H,31,33)(H,26,27,29)(H,28,30,32)