N'-(5-bromanyl-2-cyano-pyrimidin-4-yl)-4-[(4-methylpiperazin-1-yl)methyl]-N'-(2-methylpropyl)benzohydrazide

Systemtic Name: N'-(5-bromanyl-2-cyano-pyrimidin-4-yl)-4-[(4-methylpiperazin-1-yl)methyl]-N'-(2-methylpropyl)benzohydrazide Openeye Name: N'-(5-bromo-2-cyano-pyrimidin-4-yl)-N'-isobutyl-4-[(4-methylpiperazin-1-yl)methyl]benzohydrazide CAS Name: N'-(5-bromo-2-cyano-4-pyrimidinyl)-4-[(4-methyl-1-piperazinyl)methyl]-N'-(2-methylpropyl)benzohydrazide IUPAC Name: N'-(5-bromo-2-cyanopyrimidin-4-yl)-4-[(4-methylpiperazin-1-yl)methyl]-N'-(2-methylpropyl)benzohydrazide Traditional Name: N'-(5-bromo-2-cyano-pyrimidin-4-yl)-N'-isobutyl-4-[(4-methylpiperazino)methyl]benzohydrazide Formula: C22H28BrN7O MolecularWeight: 486.40802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NC(=NC=C1Br)C#N)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C

Isomeric SMILES

CC(C)CN(C1=NC(=NC=C1Br)C#N)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C

InChI

InChI=1S/C22H28BrN7O/c1-16(2)14-30(21-19(23)13-25-20(12-24)26-21)27-22(31)18-6-4-17(5-7-18)15-29-10-8-28(3)9-11-29/h4-7,13,16H,8-11,14-15H2,1-3H3,(H,27,31)