4-(2,2-dimethylpropylamino)-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrimidine-2-carbonitrile Traditional Name: 5-[[4-(3-methoxyphenyl)piperazino]methyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C22H30N6O MolecularWeight: 394.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O/c1-22(2,3)16-25-21-17(14-24-20(13-23)26-21)15-27-8-10-28(11-9-27)18-6-5-7-19(12-18)29-4/h5-7,12,14H,8-11,15-16H2,1-4H3,(H,24,25,26)