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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-propan-2-ylpiperazin-1-yl)benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-isopropylpiperazin-1-yl)benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-3-(4-propan-2-yl-1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-3-(4-propan-2-ylpiperazin-1-yl)benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-3-(4-isopropylpiperazino)benzamide Formula: C25H35N7O MolecularWeight: 449.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=CC=CC(=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N

Isomeric SMILES

CC(C)N1CCN(CC1)C2=CC=CC(=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N

InChI

InChI=1S/C25H35N7O/c1-18(2)31-9-11-32(12-10-31)21-8-6-7-19(13-21)24(33)28-16-20-15-27-22(14-26)30-23(20)29-17-25(3,4)5/h6-8,13,15,18H,9-12,16-17H2,1-5H3,(H,28,33)(H,27,29,30)