N-[(3-bromophenyl)methyl]-4-[2-[3-(1H-imidazol-2-yl)propylamino]pyrimidin-4-yl]benzamide

Systemtic Name: N-[(3-bromophenyl)methyl]-4-[2-[3-(1H-imidazol-2-yl)propylamino]pyrimidin-4-yl]benzamide Openeye Name: N-[(3-bromophenyl)methyl]-4-[2-[3-(1H-imidazol-2-yl)propylamino]pyrimidin-4-yl]benzamide CAS Name: N-[(3-bromophenyl)methyl]-4-[2-[3-(1H-imidazol-2-yl)propylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-[(3-bromophenyl)methyl]-4-[2-[3-(1H-imidazol-2-yl)propylamino]pyrimidin-4-yl]benzamide Traditional Name: N-(3-bromobenzyl)-4-[2-[3-(1H-imidazol-2-yl)propylamino]pyrimidin-4-yl]benzamide Formula: C24H23BrN6O MolecularWeight: 491.38302

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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)NCCCC4=NC=CN4

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NCCCC4=NC=CN4

InChI

InChI=1S/C24H23BrN6O/c25-20-4-1-3-17(15-20)16-30-23(32)19-8-6-18(7-9-19)21-10-12-29-24(31-21)28-11-2-5-22-26-13-14-27-22/h1,3-4,6-10,12-15H,2,5,11,16H2,(H,26,27)(H,30,32)(H,28,29,31)