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

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[3-(4-phenylpiperazin-1-yl)prop-1-ynyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[3-(4-phenylpiperazin-1-yl)prop-1-ynyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[3-(4-phenyl-1-piperazinyl)prop-1-ynyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[3-(4-phenylpiperazin-1-yl)prop-1-ynyl]pyrimidine-2-carbonitrile Traditional Name: 4-(neopentylamino)-5-[3-(4-phenylpiperazino)prop-1-ynyl]pyrimidine-2-carbonitrile Formula: C23H28N6 MolecularWeight: 388.50862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6/c1-23(2,3)18-26-22-19(17-25-21(16-24)27-22)8-7-11-28-12-14-29(15-13-28)20-9-5-4-6-10-20/h4-6,9-10,17H,11-15,18H2,1-3H3,(H,25,26,27)