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

Systemtic Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(4-propylpiperazin-1-yl)benzamide Openeye Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(4-propylpiperazin-1-yl)benzamide CAS Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl]-4-(4-propyl-1-piperazinyl)benzamide IUPAC Name: N-[[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl]-4-(4-propylpiperazin-1-yl)benzamide Traditional Name: N-[[2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl]-4-(4-propylpiperazino)benzamide Formula: C25H35N7O MolecularWeight: 449.5917

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N

Isomeric SMILES

CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CN=C(N=C3NCC(C)(C)C)C#N

InChI

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