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

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Traditional Name: 4-(neopentylamino)-5-[[4-(4-pyridylmethyl)piperazino]methyl]pyrimidine-2-carbonitrile Formula: C21H29N7 MolecularWeight: 379.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CN2CCN(CC2)CC3=CC=NC=C3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CN2CCN(CC2)CC3=CC=NC=C3)C#N

InChI

InChI=1S/C21H29N7/c1-21(2,3)16-25-20-18(13-24-19(12-22)26-20)15-28-10-8-27(9-11-28)14-17-4-6-23-7-5-17/h4-7,13H,8-11,14-16H2,1-3H3,(H,24,25,26)