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

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]methyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[[4-(2-pyridin-4-ylethyl)-1-piperazinyl]methyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Traditional Name: 4-(neopentylamino)-5-[[4-[2-(4-pyridyl)ethyl]piperazino]methyl]pyrimidine-2-carbonitrile Formula: C22H31N7 MolecularWeight: 393.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CN2CCN(CC2)CCC3=CC=NC=C3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CN2CCN(CC2)CCC3=CC=NC=C3)C#N

InChI

InChI=1S/C22H31N7/c1-22(2,3)17-26-21-19(15-25-20(14-23)27-21)16-29-12-10-28(11-13-29)9-6-18-4-7-24-8-5-18/h4-5,7-8,15H,6,9-13,16-17H2,1-3H3,(H,25,26,27)