4-(2,2-dimethylpropylamino)-5-[3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-ynyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-ynyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[3-[4-(2-pyridyl)piperazin-1-yl]prop-1-ynyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[3-[4-(2-pyridinyl)-1-piperazinyl]prop-1-ynyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-ynyl]pyrimidine-2-carbonitrile Traditional Name: 4-(neopentylamino)-5-[3-[4-(2-pyridyl)piperazino]prop-1-ynyl]pyrimidine-2-carbonitrile Formula: C22H27N7 MolecularWeight: 389.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCN(CC2)C3=CC=CC=N3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCN(CC2)C3=CC=CC=N3)C#N

InChI

InChI=1S/C22H27N7/c1-22(2,3)17-26-21-18(16-25-19(15-23)27-21)7-6-10-28-11-13-29(14-12-28)20-8-4-5-9-24-20/h4-5,8-9,16H,10-14,17H2,1-3H3,(H,25,26,27)