N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[[2-cyano-4-(2-methylpropylamino)-5-pyrimidinyl]methyl]-4-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-(4-methylpiperazino)benzamide Formula: C22H29N7O MolecularWeight: 407.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC=C1CNC(=O)C2=CC=C(C=C2)N3CCN(CC3)C)C#N

Isomeric SMILES

CC(C)CNC1=NC(=NC=C1CNC(=O)C2=CC=C(C=C2)N3CCN(CC3)C)C#N

InChI

InChI=1S/C22H29N7O/c1-16(2)13-25-21-18(14-24-20(12-23)27-21)15-26-22(30)17-4-6-19(7-5-17)29-10-8-28(3)9-11-29/h4-7,14,16H,8-11,13,15H2,1-3H3,(H,26,30)(H,24,25,27)