N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-ethylpiperazin-1-yl)benzamide

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-ethylpiperazin-1-yl)benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-ethylpiperazin-1-yl)benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-3-(4-ethyl-1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-ethylpiperazin-1-yl)benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-3-(4-ethylpiperazino)benzamide Formula: C24H33N7O MolecularWeight: 435.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC(=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC(=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N

InChI

InChI=1S/C24H33N7O/c1-5-30-9-11-31(12-10-30)20-8-6-7-18(13-20)23(32)27-16-19-15-26-21(14-25)29-22(19)28-17-24(2,3)4/h6-8,13,15H,5,9-12,16-17H2,1-4H3,(H,27,32)(H,26,28,29)