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

Systemtic Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide Openeye Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-(4-isopropylpiperazin-1-yl)benzamide CAS Name: N-[[2-cyano-4-(2-methylpropylamino)-5-pyrimidinyl]methyl]-4-(4-propan-2-yl-1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide Traditional Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-(4-isopropylpiperazino)benzamide Formula: C24H33N7O MolecularWeight: 435.56512

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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)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H33N7O/c1-17(2)14-27-23-20(15-26-22(13-25)29-23)16-28-24(32)19-5-7-21(8-6-19)31-11-9-30(10-12-31)18(3)4/h5-8,15,17-18H,9-12,14,16H2,1-4H3,(H,28,32)(H,26,27,29)