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

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Traditional Name: 4-(neopentylamino)-5-[[4-(2-pyrrolidinoethyl)piperazino]methyl]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)CCN3CCCC3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CN2CCN(CC2)CCN3CCCC3)C#N

InChI

InChI=1S/C21H35N7/c1-21(2,3)17-24-20-18(15-23-19(14-22)25-20)16-28-12-10-27(11-13-28)9-8-26-6-4-5-7-26/h15H,4-13,16-17H2,1-3H3,(H,23,24,25)