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

Systemtic Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide Openeye Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide CAS Name: N-[[2-cyano-4-(2-methylpropylamino)-5-pyrimidinyl]methyl]-4-[4-(2-methoxyethyl)-1-piperazinyl]benzamide IUPAC Name: N-[[2-cyano-4-(2-methylpropylamino)pyrimidin-5-yl]methyl]-4-[4-(2-methoxyethyl)piperazin-1-yl]benzamide Traditional Name: N-[[2-cyano-4-(isobutylamino)pyrimidin-5-yl]methyl]-4-[4-(2-methoxyethyl)piperazino]benzamide Formula: C24H33N7O2 MolecularWeight: 451.56452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N7O2/c1-18(2)15-27-23-20(16-26-22(14-25)29-23)17-28-24(32)19-4-6-21(7-5-19)31-10-8-30(9-11-31)12-13-33-3/h4-7,16,18H,8-13,15,17H2,1-3H3,(H,28,32)(H,26,27,29)