4-(2,2-dimethylpropylamino)-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[[4-(1-methyl-4-piperidyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[[4-(1-methyl-4-piperidinyl)-1-piperazinyl]methyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Traditional Name: 5-[[4-(1-methyl-4-piperidyl)piperazino]methyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C21H35N7 MolecularWeight: 385.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CN2CCN(CC2)C3CCN(CC3)C)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CN2CCN(CC2)C3CCN(CC3)C)C#N

InChI

InChI=1S/C21H35N7/c1-21(2,3)16-24-20-17(14-23-19(13-22)25-20)15-27-9-11-28(12-10-27)18-5-7-26(4)8-6-18/h14,18H,5-12,15-16H2,1-4H3,(H,23,24,25)