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

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[[4-(2-piperidin-1-ylethyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[[4-[2-(1-piperidyl)ethyl]piperazin-1-yl]methyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[[4-[2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[[4-(2-piperidin-1-ylethyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Traditional Name: 4-(neopentylamino)-5-[[4-(2-piperidinoethyl)piperazino]methyl]pyrimidine-2-carbonitrile Formula: C22H37N7 MolecularWeight: 399.57608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CN2CCN(CC2)CCN3CCCCC3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CN2CCN(CC2)CCN3CCCCC3)C#N

InChI

InChI=1S/C22H37N7/c1-22(2,3)18-25-21-19(16-24-20(15-23)26-21)17-29-13-11-28(12-14-29)10-9-27-7-5-4-6-8-27/h16H,4-14,17-18H2,1-3H3,(H,24,25,26)