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

Systemtic Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-piperazin-1-yl-benzamide Openeye Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-piperazin-1-yl-benzamide CAS Name: N-[[2-cyano-4-(2-methylpropylamino)-5-pyrimidinyl]methyl]-4-(1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-piperazin-1-ylbenzamide Traditional Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-piperazino-benzamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC=C1CNC(=O)C2=CC=C(C=C2)N3CCNCC3)C#N

Isomeric SMILES

CC(C)CNC1=NC(=NC=C1CNC(=O)C2=CC=C(C=C2)N3CCNCC3)C#N

InChI

InChI=1S/C21H27N7O/c1-15(2)12-25-20-17(13-24-19(11-22)27-20)14-26-21(29)16-3-5-18(6-4-16)28-9-7-23-8-10-28/h3-6,13,15,23H,7-10,12,14H2,1-2H3,(H,26,29)(H,24,25,27)